| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA346988
Max Phase: Preclinical
Molecular Formula: C25H38O2
Molecular Weight: 370.58
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCCC(C)C(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)CC21
Standard InChI: InChI=1S/C25H38O2/c1-7-8-9-10-17(3)18(4)19-14-22(26)24-20-13-16(2)11-12-21(20)25(5,6)27-23(24)15-19/h11,14-15,17-18,20-21,26H,7-10,12-13H2,1-6H3/t17?,18?,20?,21-/m1/s1
Standard InChI Key: XAUNJOUEWQWLCP-AONDRMHESA-N
Associated Targets(Human)
Cannabinoid receptor 238 Activities
Associated Targets(non-human)
Oryctolagus cuniculus 11301 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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: 370.58 | Molecular Weight (Monoisotopic): 370.2872 | AlogP: 7.32 | #Rotatable Bonds: 6 |
| Polar Surface Area: 29.46 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 2 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 10.00 | CX Basic pKa: | CX LogP: 7.41 | CX LogD: 7.41 |
| Aromatic Rings: 1 | Heavy Atoms: 27 | QED Weighted: 0.42 | Np Likeness Score: 1.98 |
References
| 1. Consroe P, Martin AR, Fish BS.. (1982) Use of a potential rabbit model for structure--behavioral activity studies of cannabinoids., 25 (5): [PMID:7086846] [10.1021/jm00347a021] |
Source
Source(1):