| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5277176
Max Phase: Preclinical
Molecular Formula: C15H10N6
Molecular Weight: 274.29
Associated Items:
Representations
Canonical SMILES: Cc1c(C#N)c2nnc(C#N)c(N)n2c1-c1ccccc1
Standard InChI: InChI=1S/C15H10N6/c1-9-11(7-16)15-20-19-12(8-17)14(18)21(15)13(9)10-5-3-2-4-6-10/h2-6H,18H2,1H3
Standard InChI Key: AWXWHQSZEAHYOU-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: 274.29 | Molecular Weight (Monoisotopic): 274.0967 | AlogP: 2.03 | #Rotatable Bonds: 1 |
| Polar Surface Area: 103.79 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 1.22 | CX LogD: 1.22 |
| Aromatic Rings: 3 | Heavy Atoms: 21 | QED Weighted: 0.73 | Np Likeness Score: -1.38 |
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):