| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3986570
Max Phase: Preclinical
Molecular Formula: C28H22N6O2S
Molecular Weight: 506.59
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=S(=O)(Nc1n[nH]c2ccc(-c3nnn(Cc4ccccc4)c3-c3ccccc3)cc12)c1ccccc1
Standard InChI: InChI=1S/C28H22N6O2S/c35-37(36,23-14-8-3-9-15-23)32-28-24-18-22(16-17-25(24)29-31-28)26-27(21-12-6-2-7-13-21)34(33-30-26)19-20-10-4-1-5-11-20/h1-18H,19H2,(H2,29,31,32)
Standard InChI Key: QTKZTCVVMSIDQU-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: 506.59 | Molecular Weight (Monoisotopic): 506.1525 | AlogP: 5.34 | #Rotatable Bonds: 7 |
| Polar Surface Area: 105.56 | Molecular Species: ACID | HBA: 6 | HBD: 2 |
| #RO5 Violations: 2 | HBA (Lipinski): 8 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: 5.98 | CX Basic pKa: 1.74 | CX LogP: 5.75 | CX LogD: 4.92 |
| Aromatic Rings: 6 | Heavy Atoms: 37 | QED Weighted: 0.30 | Np Likeness Score: -1.48 |
References
| 1. (2015) 5-substituted indazoles as kinase inhibitors, |
Source
Source(1):