| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4779150
Max Phase: Preclinical
Molecular Formula: C23H21N7O
Molecular Weight: 411.47
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C(N1CCN(Cc2nc3ccccc3n3cccc23)CC1)n1nnc2ccccc21
Standard InChI: InChI=1S/C23H21N7O/c31-23(30-22-9-4-2-7-18(22)25-26-30)28-14-12-27(13-15-28)16-19-21-10-5-11-29(21)20-8-3-1-6-17(20)24-19/h1-11H,12-16H2
Standard InChI Key: CDECNKVKYRHKJQ-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: 411.47 | Molecular Weight (Monoisotopic): 411.1808 | AlogP: 3.02 | #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: 6.67 | CX LogP: 2.21 | CX LogD: 2.14 |
| Aromatic Rings: 5 | Heavy Atoms: 31 | QED Weighted: 0.45 | Np Likeness Score: -1.67 |
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):