| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4799342
Max Phase: Preclinical
Molecular Formula: C26H20N4O2
Molecular Weight: 420.47
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C(COc1ccc(-c2ccccc2)cc1)Nc1ccc(-c2nc3ncccc3[nH]2)cc1
Standard InChI: InChI=1S/C26H20N4O2/c31-24(17-32-22-14-10-19(11-15-22)18-5-2-1-3-6-18)28-21-12-8-20(9-13-21)25-29-23-7-4-16-27-26(23)30-25/h1-16H,17H2,(H,28,31)(H,27,29,30)
Standard InChI Key: VRHBCZCODVPSEK-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: 420.47 | Molecular Weight (Monoisotopic): 420.1586 | AlogP: 5.31 | #Rotatable Bonds: 6 |
| Polar Surface Area: 79.90 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 9.97 | CX Basic pKa: 2.86 | CX LogP: 4.79 | CX LogD: 4.79 |
| Aromatic Rings: 5 | Heavy Atoms: 32 | QED Weighted: 0.39 | Np Likeness Score: -1.34 |
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):