| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4472271
Max Phase: Preclinical
Molecular Formula: C24H30FNO
Molecular Weight: 367.51
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C(c1cn(CCCCCF)c2ccccc12)C12CC3CC(CC(C3)C1)C2
Standard InChI: InChI=1S/C24H30FNO/c25-8-4-1-5-9-26-16-21(20-6-2-3-7-22(20)26)23(27)24-13-17-10-18(14-24)12-19(11-17)15-24/h2-3,6-7,16-19H,1,4-5,8-15H2
Standard InChI Key: WBLLMFXPGHZFFP-UHFFFAOYSA-N
Associated Targets(non-human)
Cannabinoid CB2 receptor 862 Activities
Molecule Features
| Natural Product: Yes | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 367.51 | Molecular Weight (Monoisotopic): 367.2311 | AlogP: 6.18 | #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: 5.68 | CX LogD: 5.68 |
| Aromatic Rings: 2 | Heavy Atoms: 27 | QED Weighted: 0.42 | Np Likeness Score: -0.82 |
References
| 1. Tan L, Yan W, McCorvy JD, Cheng J.. (2018) Biased Ligands of G Protein-Coupled Receptors (GPCRs): Structure-Functional Selectivity Relationships (SFSRs) and Therapeutic Potential., 61 (22): [PMID:29939744] [10.1021/acs.jmedchem.8b00435] |
Source
Source(1):