ID: ALA4563712
Chembl Id: CHEMBL4563712
PubChem CID: 155559299
Max Phase: Preclinical
Molecular Formula: C18H27NO
Molecular Weight: 273.42
Molecule Type: Unknown
Associated Items:
Canonical SMILES: Cc1ccccc1CCCCCCC(=O)N1CCCC1
Standard InChI: InChI=1S/C18H27NO/c1-16-10-6-7-12-17(16)11-4-2-3-5-13-18(20)19-14-8-9-15-19/h6-7,10,12H,2-5,8-9,11,13-15H2,1H3
Standard InChI Key: GOVVDQRIGYJVNU-UHFFFAOYSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| 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 |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| Molecular Weight: 273.42 | Molecular Weight (Monoisotopic): 273.2093 | AlogP: 4.11 | #Rotatable Bonds: 7 |
| Polar Surface Area: 20.31 | Molecular Species: NEUTRAL | HBA: 1 | HBD: ┄ |
| #RO5 Violations: ┄ | HBA (Lipinski): 2 | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: ┄ | CX LogP: 4.39 | CX LogD: 4.39 |
| Aromatic Rings: 1 | Heavy Atoms: 20 | QED Weighted: 0.68 | Np Likeness Score: -0.72 |
| 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(1):
