| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5277935
Max Phase: Preclinical
Molecular Formula: C17H14N4O
Molecular Weight: 290.33
Associated Items:
Representations
Canonical SMILES: CC(=O)c1nnc2c(C#N)c(C)c(-c3ccccc3)n2c1C
Standard InChI: InChI=1S/C17H14N4O/c1-10-14(9-18)17-20-19-15(12(3)22)11(2)21(17)16(10)13-7-5-4-6-8-13/h4-8H,1-3H3
Standard InChI Key: QGXQKQVLNNICNO-UHFFFAOYSA-N
Associated Targets(Human)
OVCAR-4 44535 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 290.33 | Molecular Weight (Monoisotopic): 290.1168 | AlogP: 3.09 | #Rotatable Bonds: 2 |
| Polar Surface Area: 71.05 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 1.86 | CX LogD: 1.86 |
| Aromatic Rings: 3 | Heavy Atoms: 22 | QED Weighted: 0.68 | Np Likeness Score: -1.11 |
References
| 1. Cascioferro S, Parrino B, Spanò V, Carbone A, Montalbano A, Barraja P, Diana P, Cirrincione G.. (2017) An overview on the recent developments of 1,2,4-triazine derivatives as anticancer compounds., 142 [PMID:28851503] [10.1016/j.ejmech.2017.08.009] |
Source
Source(1):