| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4587391
Max Phase: Preclinical
Molecular Formula: C16H24N2O
Molecular Weight: 260.38
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C(CCCCCCc1cccnc1)N1CCCC1
Standard InChI: InChI=1S/C16H24N2O/c19-16(18-12-5-6-13-18)10-4-2-1-3-8-15-9-7-11-17-14-15/h7,9,11,14H,1-6,8,10,12-13H2
Standard InChI Key: KSLCJAODXAJLBZ-UHFFFAOYSA-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: 260.38 | Molecular Weight (Monoisotopic): 260.1889 | AlogP: 3.20 | #Rotatable Bonds: 7 |
| Polar Surface Area: 33.20 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 5.56 | CX LogP: 2.66 | CX LogD: 2.66 |
| Aromatic Rings: 1 | Heavy Atoms: 19 | QED Weighted: 0.71 | Np Likeness Score: -0.84 |
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):