| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3228283
Max Phase: Preclinical
Molecular Formula: C19H37NO2
Molecular Weight: 311.51
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCCNCC[C@@H]1CCC[C@@H]1CCCCCCC(=O)O
Standard InChI: InChI=1S/C19H37NO2/c1-2-3-8-15-20-16-14-18-12-9-11-17(18)10-6-4-5-7-13-19(21)22/h17-18,20H,2-16H2,1H3,(H,21,22)/t17-,18-/m0/s1
Standard InChI Key: GVQZPPYXSNWJHN-ROUUACIJSA-N
Associated Targets(non-human)
Cyclooxygenase 304 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | 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: 311.51 | Molecular Weight (Monoisotopic): 311.2824 | AlogP: 5.00 | #Rotatable Bonds: 14 |
| Polar Surface Area: 49.33 | Molecular Species: ZWITTERION | HBA: 2 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 4.30 | CX Basic pKa: 10.76 | CX LogP: 2.77 | CX LogD: 2.77 |
| Aromatic Rings: 0 | Heavy Atoms: 22 | QED Weighted: 0.44 | Np Likeness Score: 0.69 |
References
| 1. Venton DL, Enke SE, Le Breton GC.. (1979) Azaprostanoic acid derivatives. Inhibitors of arachidonic acid induced platelet aggregation., 22 (7): [PMID:109614] [10.1021/jm00193a014] |
Source
Source(1):