| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA155472
Max Phase: Preclinical
Molecular Formula: C24H36O3
Molecular Weight: 372.55
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(=O)CC21
Standard InChI: InChI=1S/C24H36O3/c1-6-7-8-9-12-23(2,3)16-13-20(26)22-18-15-17(25)10-11-19(18)24(4,5)27-21(22)14-16/h13-14,18-19,26H,6-12,15H2,1-5H3/t18?,19-/m1/s1
Standard InChI Key: GECBBEABIDMGGL-MUMRKEEXSA-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: 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: 372.55 | Molecular Weight (Monoisotopic): 372.2664 | AlogP: 6.26 | #Rotatable Bonds: 6 |
| Polar Surface Area: 46.53 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 9.33 | CX Basic pKa: | CX LogP: 6.36 | CX LogD: 6.35 |
| Aromatic Rings: 1 | Heavy Atoms: 27 | QED Weighted: 0.60 | Np Likeness Score: 1.72 |
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):