| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3979653
Max Phase: Preclinical
Molecular Formula: C25H22N6O2S
Molecular Weight: 470.56
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=S(=O)(Nc1n[nH]c2ccc(-c3nnn(Cc4ccccc4)c3C3CC3)cc12)c1ccccc1
Standard InChI: InChI=1S/C25H22N6O2S/c32-34(33,20-9-5-2-6-10-20)29-25-21-15-19(13-14-22(21)26-28-25)23-24(18-11-12-18)31(30-27-23)16-17-7-3-1-4-8-17/h1-10,13-15,18H,11-12,16H2,(H2,26,28,29)
Standard InChI Key: FUCKFZFNKLSOCY-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: 470.56 | Molecular Weight (Monoisotopic): 470.1525 | AlogP: 4.55 | #Rotatable Bonds: 7 |
| Polar Surface Area: 105.56 | Molecular Species: ACID | HBA: 6 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 5.98 | CX Basic pKa: 1.75 | CX LogP: 4.81 | CX LogD: 3.97 |
| Aromatic Rings: 5 | Heavy Atoms: 34 | QED Weighted: 0.36 | Np Likeness Score: -1.60 |
References
| 1. (2015) 5-substituted indazoles as kinase inhibitors, |
Source
Source(1):