| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4795908
Max Phase: Preclinical
Molecular Formula: C24H32N2O2
Molecular Weight: 380.53
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COc1cccc(N2CCN(C(=O)C(C)c3ccc(CC(C)C)cc3)CC2)c1
Standard InChI: InChI=1S/C24H32N2O2/c1-18(2)16-20-8-10-21(11-9-20)19(3)24(27)26-14-12-25(13-15-26)22-6-5-7-23(17-22)28-4/h5-11,17-19H,12-16H2,1-4H3
Standard InChI Key: FFRVPPOYKZQNFW-UHFFFAOYSA-N
Associated Targets(non-human)
Anandamide amidohydrolase 3907 Activities
Molecule Features
| Natural Product: No | 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: 380.53 | Molecular Weight (Monoisotopic): 380.2464 | AlogP: 4.35 | #Rotatable Bonds: 6 |
| Polar Surface Area: 32.78 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 2.39 | CX LogP: 5.06 | CX LogD: 5.06 |
| Aromatic Rings: 2 | Heavy Atoms: 28 | QED Weighted: 0.75 | Np Likeness Score: -1.06 |
References
| 1. Tripathi RKP. (2020) A perspective review on fatty acid amide hydrolase (FAAH) inhibitors as potential therapeutic agents., 188 [PMID:31945644] [10.1016/j.ejmech.2019.111953] |
Source
Source(1):