| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4780695
Max Phase: Preclinical
Molecular Formula: C26H26N4O2
Molecular Weight: 426.52
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C(COc1ccc(C2CCCCC2)cc1)Nc1cccc(-c2nc3ncccc3[nH]2)c1
Standard InChI: InChI=1S/C26H26N4O2/c31-24(17-32-22-13-11-19(12-14-22)18-6-2-1-3-7-18)28-21-9-4-8-20(16-21)25-29-23-10-5-15-27-26(23)30-25/h4-5,8-16,18H,1-3,6-7,17H2,(H,28,31)(H,27,29,30)
Standard InChI Key: XRYCYTKZNNJWCP-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: 426.52 | Molecular Weight (Monoisotopic): 426.2056 | AlogP: 5.69 | #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: 9.91 | CX Basic pKa: 2.82 | CX LogP: 5.26 | CX LogD: 5.26 |
| Aromatic Rings: 4 | Heavy Atoms: 32 | QED Weighted: 0.42 | Np Likeness Score: -1.39 |
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):