| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4542859
Max Phase: Preclinical
Molecular Formula: C24H29NO2
Molecular Weight: 363.50
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C(CCCC/C=C/c1ccc(OCc2ccccc2)cc1)N1CCCC1
Standard InChI: InChI=1S/C24H29NO2/c26-24(25-18-8-9-19-25)13-7-2-1-4-10-21-14-16-23(17-15-21)27-20-22-11-5-3-6-12-22/h3-6,10-12,14-17H,1-2,7-9,13,18-20H2/b10-4+
Standard InChI Key: CREDVHFXIBRNIV-ONNFQVAWSA-N
Associated Targets(non-human)
N-acylethanolamine-hydrolyzing acid amidase 372 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: 363.50 | Molecular Weight (Monoisotopic): 363.2198 | AlogP: 5.46 | #Rotatable Bonds: 9 |
| Polar Surface Area: 29.54 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 5.17 | CX LogD: 5.17 |
| Aromatic Rings: 2 | Heavy Atoms: 27 | QED Weighted: 0.55 | Np Likeness Score: -0.24 |
References
| 1. Zhou P, Xiang L, Zhao D, Ren J, Qiu Y, Li Y.. (2019) Synthesis, biological evaluation, and structure activity relationship (SAR) study of pyrrolidine amide derivatives as N-acylethanolamine acid amidase (NAAA) inhibitors., 10 (2): [PMID:30931090] [10.1039/C8MD00432C] |
Source
Source(1):