| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA125199
Max Phase: Preclinical
Molecular Formula: C24H27NO3
Molecular Weight: 377.48
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1ccc(/C=C2\C=C(CCN3CCOCC3)c3ccccc32)cc1OC
Standard InChI: InChI=1S/C24H27NO3/c1-26-23-8-7-18(16-24(23)27-2)15-20-17-19(21-5-3-4-6-22(20)21)9-10-25-11-13-28-14-12-25/h3-8,15-17H,9-14H2,1-2H3/b20-15+
Standard InChI Key: WSWQKMQFSHHBKU-HMMYKYKNSA-N
Associated Targets(non-human)
Prostaglandin-H2 D-isomerase 67 Activities
Mus musculus 284745 Activities
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Cannabinoid receptor 174 Activities
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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 |
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Properties
| Molecular Weight: 377.48 | Molecular Weight (Monoisotopic): 377.1991 | AlogP: 4.36 | #Rotatable Bonds: 6 |
| Polar Surface Area: 30.93 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 7.41 | CX LogP: 3.87 | CX LogD: 3.56 |
| Aromatic Rings: 2 | Heavy Atoms: 28 | QED Weighted: 0.75 | Np Likeness Score: -0.27 |
References
| 1. Kumar V, Alexander MD, Bell MR, Eissenstat MA, Casiano FM, Chippari SM, Haycock DA, Luttinger DA, Kuster JE, Miller MS, Stevenson JI, Ward SJ. (1995) Morpholinoalkylindenes as antinociceptive agents: Novel cannabinoid receptor agonists, 5 (4): [10.1016/0960-894X(95)00040-Z] |
Source
Source(1):