| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3968307
Max Phase: Preclinical
Molecular Formula: C16H11Cl2N5
Molecular Weight: 344.21
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Clc1ccc(Cn2cc(-c3ccc4[nH]ncc4c3)nn2)c(Cl)c1
Standard InChI: InChI=1S/C16H11Cl2N5/c17-13-3-1-11(14(18)6-13)8-23-9-16(21-22-23)10-2-4-15-12(5-10)7-19-20-15/h1-7,9H,8H2,(H,19,20)
Standard InChI Key: RCVRAKKZOKHPFT-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: 344.21 | Molecular Weight (Monoisotopic): 343.0392 | AlogP: 4.18 | #Rotatable Bonds: 3 |
| Polar Surface Area: 59.39 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.43 | CX Basic pKa: 1.65 | CX LogP: 4.31 | CX LogD: 4.31 |
| Aromatic Rings: 4 | Heavy Atoms: 23 | QED Weighted: 0.61 | Np Likeness Score: -2.31 |
References
| 1. (2015) 5-substituted indazoles as kinase inhibitors, |
Source
Source(1):