| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5268009
Max Phase: Preclinical
Molecular Formula: C17H15N5O2
Molecular Weight: 321.34
Associated Items:
Representations
Canonical SMILES: CCOC(=O)c1nnc2c(C#N)c(C)c(-c3ccccc3)n2c1N
Standard InChI: InChI=1S/C17H15N5O2/c1-3-24-17(23)13-15(19)22-14(11-7-5-4-6-8-11)10(2)12(9-18)16(22)21-20-13/h4-8H,3,19H2,1-2H3
Standard InChI Key: CGGLARYCXFKJPW-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: 321.34 | Molecular Weight (Monoisotopic): 321.1226 | AlogP: 2.34 | #Rotatable Bonds: 3 |
| Polar Surface Area: 106.30 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 2.17 | CX LogD: 2.17 |
| Aromatic Rings: 3 | Heavy Atoms: 24 | QED Weighted: 0.74 | Np Likeness Score: -1.29 |
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):