| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2086576
Max Phase: Preclinical
Molecular Formula: C15H17FN6
Molecular Weight: 300.34
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)(C)n1nc(Nc2ccc(F)cc2)c2c(N)ncnc21
Standard InChI: InChI=1S/C15H17FN6/c1-15(2,3)22-14-11(12(17)18-8-19-14)13(21-22)20-10-6-4-9(16)5-7-10/h4-8H,1-3H3,(H,20,21)(H2,17,18,19)
Standard InChI Key: HLSOQTSXGPEPTN-UHFFFAOYSA-N
Associated Targets(Human)
Serine/threonine-protein kinase 32B 334 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: 300.34 | Molecular Weight (Monoisotopic): 300.1499 | AlogP: 3.05 | #Rotatable Bonds: 2 |
| Polar Surface Area: 81.65 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 3.49 | CX LogP: 2.86 | CX LogD: 2.86 |
| Aromatic Rings: 3 | Heavy Atoms: 22 | QED Weighted: 0.76 | Np Likeness Score: -1.46 |
References
| 1. Jester BW, Gaj A, Shomin CD, Cox KJ, Ghosh I.. (2012) Testing the promiscuity of commercial kinase inhibitors against the AGC kinase group using a split-luciferase screen., 55 (4): [PMID:22257127] [10.1021/jm201265f] |
Source
Source(1):