| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3968211
Max Phase: Preclinical
Molecular Formula: C22H24N6
Molecular Weight: 372.48
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Nc1n[nH]c2ccc(-c3nnn(Cc4ccccc4)c3C3CCCCC3)cc12
Standard InChI: InChI=1S/C22H24N6/c23-22-18-13-17(11-12-19(18)24-26-22)20-21(16-9-5-2-6-10-16)28(27-25-20)14-15-7-3-1-4-8-15/h1,3-4,7-8,11-13,16H,2,5-6,9-10,14H2,(H3,23,24,26)
Standard InChI Key: FVCCRDNDRZVOGL-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: 372.48 | Molecular Weight (Monoisotopic): 372.2062 | AlogP: 4.50 | #Rotatable Bonds: 4 |
| Polar Surface Area: 85.41 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 3.42 | CX LogP: 4.82 | CX LogD: 4.82 |
| Aromatic Rings: 4 | Heavy Atoms: 28 | QED Weighted: 0.55 | Np Likeness Score: -1.22 |
References
| 1. (2015) 5-substituted indazoles as kinase inhibitors, |
Source
Source(1):