| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4552819
Max Phase: Preclinical
Molecular Formula: C18H25NO3
Molecular Weight: 303.40
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C(O)c1ccc(CCCCCCC(=O)N2CCCC2)cc1
Standard InChI: InChI=1S/C18H25NO3/c20-17(19-13-5-6-14-19)8-4-2-1-3-7-15-9-11-16(12-10-15)18(21)22/h9-12H,1-8,13-14H2,(H,21,22)
Standard InChI Key: TZDCXLHGQIPSCY-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: 303.40 | Molecular Weight (Monoisotopic): 303.1834 | AlogP: 3.50 | #Rotatable Bonds: 8 |
| Polar Surface Area: 57.61 | Molecular Species: ACID | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 4.24 | CX Basic pKa: | CX LogP: 3.54 | CX LogD: 0.53 |
| Aromatic Rings: 1 | Heavy Atoms: 22 | QED Weighted: 0.75 | Np Likeness Score: -0.39 |
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):