| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3976347
Max Phase: Preclinical
Molecular Formula: C16H13N5
Molecular Weight: 275.32
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: c1ccc(Cn2nncc2-c2ccc3[nH]ncc3c2)cc1
Standard InChI: InChI=1S/C16H13N5/c1-2-4-12(5-3-1)11-21-16(10-18-20-21)13-6-7-15-14(8-13)9-17-19-15/h1-10H,11H2,(H,17,19)
Standard InChI Key: POVLUYABXIQDKB-UHFFFAOYSA-N
Associated Targets(Human)
Cell division cycle 7-related protein kinase 1385 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: 275.32 | Molecular Weight (Monoisotopic): 275.1171 | AlogP: 2.87 | #Rotatable Bonds: 3 |
| Polar Surface Area: 59.39 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.77 | CX Basic pKa: 1.67 | CX LogP: 2.63 | CX LogD: 2.63 |
| Aromatic Rings: 4 | Heavy Atoms: 21 | QED Weighted: 0.63 | Np Likeness Score: -1.80 |
References
| 1. (2015) 5-substituted indazoles as kinase inhibitors, |
Source
Source(1):