| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3975457
Max Phase: Preclinical
Molecular Formula: C27H25N7O
Molecular Weight: 463.55
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: NC(=O)N(Cc1ccccc1)c1n[nH]c2ccc(-c3nnn(Cc4ccccc4)c3C3CC3)cc12
Standard InChI: InChI=1S/C27H25N7O/c28-27(35)33(16-18-7-3-1-4-8-18)26-22-15-21(13-14-23(22)29-31-26)24-25(20-11-12-20)34(32-30-24)17-19-9-5-2-6-10-19/h1-10,13-15,20H,11-12,16-17H2,(H2,28,35)(H,29,31)
Standard InChI Key: SDSSLQLKDBAKDH-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: 463.55 | Molecular Weight (Monoisotopic): 463.2121 | AlogP: 4.83 | #Rotatable Bonds: 7 |
| Polar Surface Area: 105.72 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.08 | CX Basic pKa: 0.62 | CX LogP: 4.81 | CX LogD: 4.81 |
| Aromatic Rings: 5 | Heavy Atoms: 35 | QED Weighted: 0.36 | Np Likeness Score: -1.34 |
References
| 1. (2015) 5-substituted indazoles as kinase inhibitors, |
Source
Source(1):