| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA152187
Max Phase: Preclinical
Molecular Formula: C27H29NO
Molecular Weight: 383.54
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCCC(C)n1c(C)c(C(=O)c2cccc3ccccc23)c2ccccc21
Standard InChI: InChI=1S/C27H29NO/c1-4-5-6-12-19(2)28-20(3)26(24-16-9-10-18-25(24)28)27(29)23-17-11-14-21-13-7-8-15-22(21)23/h7-11,13-19H,4-6,12H2,1-3H3
Standard InChI Key: HVIWIQFCDXFBDK-UHFFFAOYSA-N
Associated Targets(Human)
Cannabinoid receptor 238 Activities
Associated Targets(non-human)
Mus musculus 284745 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: 383.54 | Molecular Weight (Monoisotopic): 383.2249 | AlogP: 7.48 | #Rotatable Bonds: 7 |
| Polar Surface Area: 22.00 | Molecular Species: | HBA: 2 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 2 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 7.57 | CX LogD: 7.57 |
| Aromatic Rings: 4 | Heavy Atoms: 29 | QED Weighted: 0.24 | Np Likeness Score: -0.39 |
References
| 1. Huffman JW, Dai D, Martin BR, Compton DR. (1994) Design, Synthesis and Pharmacology of Cannabimimetic Indoles, 4 (4): [10.1016/S0960-894X(01)80155-4] |
Source
Source(1):