| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4797352
Max Phase: Preclinical
Molecular Formula: C25H23N3O5
Molecular Weight: 445.48
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COCC(=O)Nc1ccc2c(cnn2CC(=O)COc2ccc(Oc3ccccc3)cc2)c1
Standard InChI: InChI=1S/C25H23N3O5/c1-31-17-25(30)27-19-7-12-24-18(13-19)14-26-28(24)15-20(29)16-32-21-8-10-23(11-9-21)33-22-5-3-2-4-6-22/h2-14H,15-17H2,1H3,(H,27,30)
Standard InChI Key: FNJFARGDJAISIY-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: 445.48 | Molecular Weight (Monoisotopic): 445.1638 | AlogP: 4.06 | #Rotatable Bonds: 10 |
| Polar Surface Area: 91.68 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.78 | CX Basic pKa: 1.47 | CX LogP: 3.31 | CX LogD: 3.31 |
| Aromatic Rings: 4 | Heavy Atoms: 33 | QED Weighted: 0.40 | Np Likeness Score: -1.52 |
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):