| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA233634
Max Phase: Preclinical
Molecular Formula: C25H34O
Molecular Weight: 350.55
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCCCC1(c2ccc(-c3cc(C)cc(C)c3)c(O)c2)CCCC1
Standard InChI: InChI=1S/C25H34O/c1-4-5-6-7-12-25(13-8-9-14-25)22-10-11-23(24(26)18-22)21-16-19(2)15-20(3)17-21/h10-11,15-18,26H,4-9,12-14H2,1-3H3
Standard InChI Key: BPDUKOOBZHBPTD-UHFFFAOYSA-N
Associated Targets(Human)
Cannabinoid CB1 receptor 20913 Activities
Cannabinoid CB2 receptor 16942 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Cannabinoid receptor 238 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Molecule Features
| Natural Product: No | 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: 350.55 | Molecular Weight (Monoisotopic): 350.2610 | AlogP: 7.46 | #Rotatable Bonds: 7 |
| Polar Surface Area: 20.23 | Molecular Species: NEUTRAL | HBA: 1 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 1 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 9.71 | CX Basic pKa: | CX LogP: 8.54 | CX LogD: 8.53 |
| Aromatic Rings: 2 | Heavy Atoms: 26 | QED Weighted: 0.51 | Np Likeness Score: 0.56 |
References
| 1. Worm K, Zhou QJ, Stabley GJ, DeHaven RN, Dolle RE.. (2007) Biaryl cannabinoid mimetics--synthesis and structure-activity relationship., 17 (13): [PMID:17507224] [10.1016/j.bmcl.2007.04.059] |
Source
Source(1):