| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3970165
Max Phase: Preclinical
Molecular Formula: C26H21ClN6O
Molecular Weight: 468.95
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(Nc1n[nH]c2ccc(-c3nnn(Cc4ccccc4)c3C3CC3)cc12)c1cccc(Cl)c1
Standard InChI: InChI=1S/C26H21ClN6O/c27-20-8-4-7-19(13-20)26(34)28-25-21-14-18(11-12-22(21)29-31-25)23-24(17-9-10-17)33(32-30-23)15-16-5-2-1-3-6-16/h1-8,11-14,17H,9-10,15H2,(H2,28,29,31,34)
Standard InChI Key: BJOQXWAFYQADST-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: 468.95 | Molecular Weight (Monoisotopic): 468.1465 | AlogP: 5.65 | #Rotatable Bonds: 6 |
| Polar Surface Area: 88.49 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 7 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 11.57 | CX Basic pKa: 0.78 | CX LogP: 6.01 | CX LogD: 6.01 |
| Aromatic Rings: 5 | Heavy Atoms: 34 | QED Weighted: 0.34 | Np Likeness Score: -1.73 |
References
| 1. (2015) 5-substituted indazoles as kinase inhibitors, |
Source
Source(1):