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(-)-CAMPHOR
ID: ALA2252949
Max Phase: Preclinical
Molecular Formula: C10H16O
Molecular Weight: 152.24
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC1(C)[C@H]2CC[C@]1(C)C(=O)C2
Standard InChI: InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10+/m0/s1
Standard InChI Key: DSSYKIVIOFKYAU-OIBJUYFYSA-N
Associated Targets(Human)
Acetylcholinesterase 18204 Activities
Adenosine A1 receptor 17603 Activities
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Adenosine A2a receptor 16305 Activities
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Adenosine A3 receptor 15931 Activities
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Alpha-1d adrenergic receptor 4171 Activities
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Alpha-2a adrenergic receptor 9450 Activities
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Alpha-2b adrenergic receptor 4412 Activities
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Alpha-2c adrenergic receptor 4876 Activities
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Beta-1 adrenergic receptor 6630 Activities
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Beta-2 adrenergic receptor 11824 Activities
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Beta-3 adrenergic receptor 5850 Activities
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Norepinephrine transporter 10102 Activities
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Angiotensin II type 2 (AT-2) receptor 2549 Activities
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|---|
Bradykinin B2 receptor 3970 Activities
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|---|
Calcitonin receptor 2215 Activities
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Cannabinoid CB1 receptor 20913 Activities
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Carbonic anhydrase II 17698 Activities
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|---|
C-C chemokine receptor type 2 5628 Activities
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|---|
C-C chemokine receptor type 4 2819 Activities
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|---|
C-C chemokine receptor type 5 5640 Activities
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|---|
Interleukin-8 receptor A 2256 Activities
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|---|
Interleukin-8 receptor B 3491 Activities
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|---|
Cholecystokinin A receptor 4460 Activities
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|---|
Cyclooxygenase-1 9233 Activities
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Cyclooxygenase-2 13999 Activities
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Cytochrome P450 1A2 26471 Activities
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Cytochrome P450 2A6 2861 Activities
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Cytochrome P450 2C19 29246 Activities
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Cytochrome P450 2C9 32119 Activities
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Cytochrome P450 2D6 33882 Activities
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Cytochrome P450 2E1 2174 Activities
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Cytochrome P450 3A4 53859 Activities
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|---|
Dopamine D1 receptor 9720 Activities
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|---|
Dopamine D2 receptor 23596 Activities
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Dopamine D3 receptor 14368 Activities
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|---|
Dopamine D4 receptor 7907 Activities
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Dopamine transporter 10535 Activities
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|---|
Endothelin receptor ET-A 5008 Activities
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|---|
Estrogen receptor alpha 17718 Activities
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|---|
Estrogen receptor beta 9272 Activities
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Glucocorticoid receptor 14987 Activities
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|---|
Histamine H1 receptor 7573 Activities
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Histamine H2 receptor 5428 Activities
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|---|
HMG-CoA reductase 2475 Activities
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|---|
Cysteinyl leukotriene receptor 1 2118 Activities
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|---|
Melanocortin receptor 3 5659 Activities
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|---|
Melanocortin receptor 4 10016 Activities
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|---|
Melanocortin receptor 5 4283 Activities
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|---|
Monoamine oxidase A 11911 Activities
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|---|
Muscarinic acetylcholine receptor M1 12690 Activities
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Muscarinic acetylcholine receptor M2 10671 Activities
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Muscarinic acetylcholine receptor M3 7750 Activities
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Muscarinic acetylcholine receptor M4 6041 Activities
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Muscarinic acetylcholine receptor M5 4677 Activities
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|---|
Neuropeptide Y receptor type 1 5019 Activities
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|---|
Neuropeptide Y receptor type 2 3731 Activities
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|---|
Delta opioid receptor 15096 Activities
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Kappa opioid receptor 16155 Activities
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Mu opioid receptor 19785 Activities
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|---|
Phosphodiesterase 5A 5113 Activities
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Platelet activating factor receptor 2575 Activities
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HERG 29587 Activities
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Caspase-1 6235 Activities
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Cathepsin G 2304 Activities
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Leukocyte elastase 8173 Activities
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Matrix metalloproteinase-1 7046 Activities
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Matrix metalloproteinase 9 6779 Activities
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|---|
Protein kinase C alpha 5923 Activities
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MAP kinase ERK1 4725 Activities
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|---|
MAP kinase ERK2 25055 Activities
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|---|
MAP kinase p38 alpha 12866 Activities
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|---|
Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform 1831 Activities
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|---|
Epidermal growth factor receptor erbB1 33727 Activities
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|---|
Tyrosine-protein kinase FYN 5308 Activities
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|---|
Receptor protein-tyrosine kinase erbB-2 7851 Activities
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|---|
Tyrosine-protein kinase LCK 9212 Activities
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|---|
Leukocyte common antigen 2317 Activities
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|---|
Serotonin 2a (5-HT2a) receptor 14758 Activities
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|---|
Serotonin 2b (5-HT2b) receptor 10323 Activities
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|---|
Serotonin 2c (5-HT2c) receptor 11471 Activities
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|---|
Serotonin 6 (5-HT6) receptor 9749 Activities
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|---|
Serotonin transporter 12625 Activities
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|---|
Sigma opioid receptor 6358 Activities
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|---|
Neurokinin 1 receptor 6273 Activities
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|---|
Neurokinin 2 receptor 3341 Activities
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|---|
Thromboxane-A synthase 3355 Activities
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Vascular endothelial growth factor receptor 1 6262 Activities
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Vasoactive intestinal polypeptide receptor 1 1904 Activities
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Vasopressin V1a receptor 5412 Activities
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Associated Targets(non-human)
Alpha-1a adrenergic receptor 3346 Activities
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Alpha-1b adrenergic receptor 2470 Activities
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Aldose reductase 4007 Activities
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Glycine receptor 1745 Activities
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Insulin receptor 1750 Activities
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Leukotriene C4 synthase 1746 Activities
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|---|
Arachidonate 15-lipoxygenase 2064 Activities
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Nitric-oxide synthase, brain 2987 Activities
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Nitric oxide synthase, inducible 3573 Activities
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Progesterone receptor 1742 Activities
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Angiotensin-converting enzyme 2863 Activities
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Serotonin 1a (5-HT1a) receptor 8655 Activities
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Serotonin 1b (5-HT1b) receptor 2343 Activities
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Serotonin 4 (5-HT4) receptor 2870 Activities
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|---|
Androgen Receptor 5522 Activities
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|---|
Colletotrichum acutatum 300 Activities
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Colletotrichum gloeosporioides 560 Activities
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Colletotrichum fragariae 147 Activities
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Rattus norvegicus 775804 Activities
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Molecule Features
| Natural Product: Yes | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 152.24 | Molecular Weight (Monoisotopic): 152.1201 | AlogP: 2.40 | #Rotatable Bonds: 0 |
| Polar Surface Area: 17.07 | Molecular Species: NEUTRAL | HBA: 1 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 1 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 2.55 | CX LogD: 2.55 |
| Aromatic Rings: 0 | Heavy Atoms: 11 | QED Weighted: 0.52 | Np Likeness Score: 2.07 |
References
| 1. Scott S. Auerbach, DrugMatrix¨ and ToxFX¨ Coordinator National Toxicology Program. DrugMatrix in vitro pharmacology data, |
| 2. Tabanca N, Demirci B, Baser KH, Aytac Z, Ekici M, Khan SI, Jacob MR, Wedge DE.. (2006) Chemical composition and antifungal activity of Salvia macrochlamys and Salvia recognita essential oils., 54 (18): [PMID:16939314] [10.1021/jf0608773] |
| 3. PubChem BioAssay data set, |
| 4. DrugMatrix, [10.6019/CHEMBL3885881] |
Source
Source(3):