| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA153972
Max Phase: Preclinical
Molecular Formula: C30H45NO4
Molecular Weight: 483.69
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCCCc1cc(OC(=O)CCCN2CCOCC2)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=CC21
Standard InChI: InChI=1S/C30H45NO4/c1-5-6-7-8-10-23-20-26(34-28(32)11-9-14-31-15-17-33-18-16-31)29-24-19-22(2)12-13-25(24)30(3,4)35-27(29)21-23/h19-21,24-25H,5-18H2,1-4H3/t24?,25-/m1/s1
Standard InChI Key: OZCPBEVAXSZGFA-WUBHUQEYSA-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: 483.69 | Molecular Weight (Monoisotopic): 483.3349 | AlogP: 6.44 | #Rotatable Bonds: 10 |
| Polar Surface Area: 48.00 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 6.63 | CX LogP: 6.50 | CX LogD: 6.43 |
| Aromatic Rings: 1 | Heavy Atoms: 35 | QED Weighted: 0.17 | Np Likeness Score: 0.84 |
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):