ID: ALA4438208
Chembl Id: CHEMBL4438208
PubChem CID: 10777700
Max Phase: Preclinical
Molecular Formula: C17H25NO
Molecular Weight: 259.39
Molecule Type: Unknown
Associated Items:
Canonical SMILES: O=C(CCCCCCc1ccccc1)N1CCCC1
Standard InChI: InChI=1S/C17H25NO/c19-17(18-14-8-9-15-18)13-7-2-1-4-10-16-11-5-3-6-12-16/h3,5-6,11-12H,1-2,4,7-10,13-15H2
Standard InChI Key: SGRDUBNESZDOEJ-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: 259.39 | Molecular Weight (Monoisotopic): 259.1936 | AlogP: 3.80 | #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: 3.88 | CX LogD: 3.88 |
| Aromatic Rings: 1 | Heavy Atoms: 19 | QED Weighted: 0.68 | Np Likeness Score: -0.55 |
| 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] |
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