| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3974914
Max Phase: Preclinical
Molecular Formula: C21H20FN5O
Molecular Weight: 377.42
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Fc1ccc(-c2c(-c3ccc4[nH]ncc4c3)nnn2CC2CCOCC2)cc1
Standard InChI: InChI=1S/C21H20FN5O/c22-18-4-1-15(2-5-18)21-20(16-3-6-19-17(11-16)12-23-24-19)25-26-27(21)13-14-7-9-28-10-8-14/h1-6,11-12,14H,7-10,13H2,(H,23,24)
Standard InChI Key: WWKXHAYLEYNBPR-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: 377.42 | Molecular Weight (Monoisotopic): 377.1652 | AlogP: 4.05 | #Rotatable Bonds: 4 |
| Polar Surface Area: 68.62 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.38 | CX Basic pKa: 1.64 | CX LogP: 3.51 | CX LogD: 3.51 |
| Aromatic Rings: 4 | Heavy Atoms: 28 | QED Weighted: 0.58 | Np Likeness Score: -1.73 |
References
| 1. (2015) 5-substituted indazoles as kinase inhibitors, |
Source
Source(1):