| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3979260
Max Phase: Preclinical
Molecular Formula: C20H20N6O
Molecular Weight: 360.42
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: c1ccc(Cn2cc(-c3ccc4[nH]nc(N5CCOCC5)c4c3)nn2)cc1
Standard InChI: InChI=1S/C20H20N6O/c1-2-4-15(5-3-1)13-26-14-19(22-24-26)16-6-7-18-17(12-16)20(23-21-18)25-8-10-27-11-9-25/h1-7,12,14H,8-11,13H2,(H,21,23)
Standard InChI Key: UYDSPNGPTPODBJ-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: 360.42 | Molecular Weight (Monoisotopic): 360.1699 | AlogP: 2.71 | #Rotatable Bonds: 4 |
| Polar Surface Area: 71.86 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 3.16 | CX LogP: 3.58 | CX LogD: 3.58 |
| Aromatic Rings: 4 | Heavy Atoms: 27 | QED Weighted: 0.61 | Np Likeness Score: -1.76 |
References
| 1. (2015) 5-substituted indazoles as kinase inhibitors, |
Source
Source(1):