| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3907537
Max Phase: Preclinical
Molecular Formula: C22H24N6O
Molecular Weight: 388.48
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CN(C)CCC(=O)Nc1ccc2[nH]cc(-c3cn(Cc4ccccc4)nn3)c2c1
Standard InChI: InChI=1S/C22H24N6O/c1-27(2)11-10-22(29)24-17-8-9-20-18(12-17)19(13-23-20)21-15-28(26-25-21)14-16-6-4-3-5-7-16/h3-9,12-13,15,23H,10-11,14H2,1-2H3,(H,24,29)
Standard InChI Key: GPLUFUYGOIIVTK-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: 388.48 | Molecular Weight (Monoisotopic): 388.2012 | AlogP: 3.36 | #Rotatable Bonds: 7 |
| Polar Surface Area: 78.84 | Molecular Species: BASE | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.66 | CX Basic pKa: 9.15 | CX LogP: 3.24 | CX LogD: 1.50 |
| Aromatic Rings: 4 | Heavy Atoms: 29 | QED Weighted: 0.51 | Np Likeness Score: -1.70 |
References
| 1. (2015) 5-substituted indazoles as kinase inhibitors, |
Source
Source(1):