| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4799195
Max Phase: Preclinical
Molecular Formula: C26H25N3O3
Molecular Weight: 427.50
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C(COc1ccc(C2CCCCC2)cc1)Nc1cccc(-c2nc3ncccc3o2)c1
Standard InChI: InChI=1S/C26H25N3O3/c30-24(17-31-22-13-11-19(12-14-22)18-6-2-1-3-7-18)28-21-9-4-8-20(16-21)26-29-25-23(32-26)10-5-15-27-25/h4-5,8-16,18H,1-3,6-7,17H2,(H,28,30)
Standard InChI Key: APABIOATXROQGJ-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: 427.50 | Molecular Weight (Monoisotopic): 427.1896 | AlogP: 5.96 | #Rotatable Bonds: 6 |
| Polar Surface Area: 77.25 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 12.45 | CX Basic pKa: 0.62 | CX LogP: 5.32 | CX LogD: 5.32 |
| Aromatic Rings: 4 | Heavy Atoms: 32 | QED Weighted: 0.41 | Np Likeness Score: -1.53 |
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):