| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4784097
Max Phase: Preclinical
Molecular Formula: C20H25N3O5
Molecular Weight: 387.44
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CC(=O)Oc1cn(C(=O)NCCCCCCCc2ccccc2)c(=O)[nH]c1=O
Standard InChI: InChI=1S/C20H25N3O5/c1-15(24)28-17-14-23(20(27)22-18(17)25)19(26)21-13-9-4-2-3-6-10-16-11-7-5-8-12-16/h5,7-8,11-12,14H,2-4,6,9-10,13H2,1H3,(H,21,26)(H,22,25,27)
Standard InChI Key: LXPTUXPDIPUELG-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: 387.44 | Molecular Weight (Monoisotopic): 387.1794 | AlogP: 2.21 | #Rotatable Bonds: 9 |
| Polar Surface Area: 110.26 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.69 | CX Basic pKa: | CX LogP: 2.92 | CX LogD: 2.90 |
| Aromatic Rings: 2 | Heavy Atoms: 28 | QED Weighted: 0.51 | Np Likeness Score: -0.32 |
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):