| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4779973
Max Phase: Preclinical
Molecular Formula: C19H18ClN7O
Molecular Weight: 395.85
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C(N1CCN(Cc2nc3cc(Cl)ccc3n3cccc23)CC1)n1cncn1
Standard InChI: InChI=1S/C19H18ClN7O/c20-14-3-4-18-15(10-14)23-16(17-2-1-5-26(17)18)11-24-6-8-25(9-7-24)19(28)27-13-21-12-22-27/h1-5,10,12-13H,6-9,11H2
Standard InChI Key: FCISKVILAJBBSP-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: 395.85 | Molecular Weight (Monoisotopic): 395.1261 | AlogP: 2.52 | #Rotatable Bonds: 2 |
| Polar Surface Area: 71.56 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 6.38 | CX LogP: 1.11 | CX LogD: 1.07 |
| Aromatic Rings: 4 | Heavy Atoms: 28 | QED Weighted: 0.52 | Np Likeness Score: -1.94 |
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):