| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4797414
Max Phase: Preclinical
Molecular Formula: C21H27NO3
Molecular Weight: 341.45
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COc1ccc(CNC(=O)C(C)c2ccc(CC(C)C)cc2)cc1O
Standard InChI: InChI=1S/C21H27NO3/c1-14(2)11-16-5-8-18(9-6-16)15(3)21(24)22-13-17-7-10-20(25-4)19(23)12-17/h5-10,12,14-15,23H,11,13H2,1-4H3,(H,22,24)
Standard InChI Key: BLERDCRAMCUCSJ-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: 341.45 | Molecular Weight (Monoisotopic): 341.1991 | AlogP: 4.02 | #Rotatable Bonds: 7 |
| Polar Surface Area: 58.56 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.85 | CX Basic pKa: | CX LogP: 4.52 | CX LogD: 4.52 |
| Aromatic Rings: 2 | Heavy Atoms: 25 | QED Weighted: 0.80 | Np Likeness Score: -0.31 |
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):