| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA63818
Max Phase: Preclinical
Molecular Formula: C25H40O3
Molecular Weight: 388.59
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC[C@@H](CO)CC21
Standard InChI: InChI=1S/C25H40O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h14-15,17,19-20,26-27H,6-13,16H2,1-5H3/t17-,19?,20-/m1/s1
Standard InChI Key: MVEVPDCVOXJVBD-WWJDGXJASA-N
Associated Targets(non-human)
Columba livia 47 Activities
Cannabinoid receptor 174 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: 388.59 | Molecular Weight (Monoisotopic): 388.2977 | AlogP: 6.30 | #Rotatable Bonds: 7 |
| Polar Surface Area: 49.69 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 3 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 10.00 | CX Basic pKa: | CX LogP: 6.47 | CX LogD: 6.47 |
| Aromatic Rings: 1 | Heavy Atoms: 28 | QED Weighted: 0.54 | Np Likeness Score: 1.67 |
References
| 1. Devane WA, Breuer A, Sheskin T, Järbe TU, Eisen MS, Mechoulam R.. (1992) A novel probe for the cannabinoid receptor., 35 (11): [PMID:1317925] [10.1021/jm00089a018] |
Source
Source(1):