ID: ALA4560237
Chembl Id: CHEMBL4560237
PubChem CID: 155558520
Max Phase: Preclinical
Molecular Formula: C19H20FNO
Molecular Weight: 297.37
Molecule Type: Unknown
Associated Items:
Canonical SMILES: O=C(CCc1ccc(-c2ccccc2F)cc1)N1CCCC1
Standard InChI: InChI=1S/C19H20FNO/c20-18-6-2-1-5-17(18)16-10-7-15(8-11-16)9-12-19(22)21-13-3-4-14-21/h1-2,5-8,10-11H,3-4,9,12-14H2
Standard InChI Key: NJZPUWQAVBFRDX-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: 297.37 | Molecular Weight (Monoisotopic): 297.1529 | AlogP: 4.05 | #Rotatable Bonds: 4 |
| 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: 3.89 | CX LogD: 3.89 |
| Aromatic Rings: 2 | Heavy Atoms: 22 | QED Weighted: 0.83 | Np Likeness Score: -1.04 |
| 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):
