| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3980762
Max Phase: Preclinical
Molecular Formula: C24H22N6O
Molecular Weight: 410.48
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1ccc(CNc2n[nH]c3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1
Standard InChI: InChI=1S/C24H22N6O/c1-31-20-10-7-17(8-11-20)14-25-24-21-13-19(9-12-22(21)26-28-24)23-16-30(29-27-23)15-18-5-3-2-4-6-18/h2-13,16H,14-15H2,1H3,(H2,25,26,28)
Standard InChI Key: CWGMLORJXNUQPL-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: 410.48 | Molecular Weight (Monoisotopic): 410.1855 | AlogP: 4.49 | #Rotatable Bonds: 7 |
| Polar Surface Area: 80.65 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 3.27 | CX LogP: 4.73 | CX LogD: 4.73 |
| Aromatic Rings: 5 | Heavy Atoms: 31 | QED Weighted: 0.41 | Np Likeness Score: -1.50 |
References
| 1. (2015) 5-substituted indazoles as kinase inhibitors, |
Source
Source(1):