| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5277621
Max Phase: Preclinical
Molecular Formula: C19H20N6O2
Molecular Weight: 364.41
Associated Items:
Representations
Canonical SMILES: O=C(c1cnn(-c2cc(NCc3ccccc3)ncn2)c1)N1CCOCC1
Standard InChI: InChI=1S/C19H20N6O2/c26-19(24-6-8-27-9-7-24)16-12-23-25(13-16)18-10-17(21-14-22-18)20-11-15-4-2-1-3-5-15/h1-5,10,12-14H,6-9,11H2,(H,20,21,22)
Standard InChI Key: SNVYCSHDZVNWFI-UHFFFAOYSA-N
Associated Targets(Human)
CDK2/Cyclin A2 2260 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: 364.41 | Molecular Weight (Monoisotopic): 364.1648 | AlogP: 1.75 | #Rotatable Bonds: 5 |
| Polar Surface Area: 85.17 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 4.83 | CX LogP: 1.60 | CX LogD: 1.60 |
| Aromatic Rings: 3 | Heavy Atoms: 27 | QED Weighted: 0.74 | Np Likeness Score: -2.17 |
References
| 1. Marak BN, Dowarah J, Khiangte L, Singh VP.. (2020) A comprehensive insight on the recent development of Cyclic Dependent Kinase inhibitors as anticancer agents., 203 [PMID:32707525] [10.1016/j.ejmech.2020.112571] |
Source
Source(1):