| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4778139
Max Phase: Preclinical
Molecular Formula: C24H21N3O5
Molecular Weight: 431.45
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C(COc1ccc(Oc2ccccc2)cc1)Cn1ncc2cc(NC(=O)CO)ccc21
Standard InChI: InChI=1S/C24H21N3O5/c28-15-24(30)26-18-6-11-23-17(12-18)13-25-27(23)14-19(29)16-31-20-7-9-22(10-8-20)32-21-4-2-1-3-5-21/h1-13,28H,14-16H2,(H,26,30)
Standard InChI Key: CGFBOIGDLYNQID-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: 431.45 | Molecular Weight (Monoisotopic): 431.1481 | AlogP: 3.41 | #Rotatable Bonds: 9 |
| Polar Surface Area: 102.68 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.72 | CX Basic pKa: 1.47 | CX LogP: 2.67 | CX LogD: 2.67 |
| Aromatic Rings: 4 | Heavy Atoms: 32 | QED Weighted: 0.42 | Np Likeness Score: -1.25 |
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):