| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3986318
Max Phase: Preclinical
Molecular Formula: C22H24N6O
Molecular Weight: 388.48
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ccccc1-c1c(-c2ccc3[nH]nc(N)c3c2)nnn1CC1CCOCC1
Standard InChI: InChI=1S/C22H24N6O/c1-14-4-2-3-5-17(14)21-20(16-6-7-19-18(12-16)22(23)26-24-19)25-27-28(21)13-15-8-10-29-11-9-15/h2-7,12,15H,8-11,13H2,1H3,(H3,23,24,26)
Standard InChI Key: CYGRGUGJJUXWLT-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: 388.48 | Molecular Weight (Monoisotopic): 388.2012 | AlogP: 3.81 | #Rotatable Bonds: 4 |
| Polar Surface Area: 94.64 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 3.42 | CX LogP: 3.64 | CX LogD: 3.64 |
| Aromatic Rings: 4 | Heavy Atoms: 29 | QED Weighted: 0.55 | Np Likeness Score: -1.18 |
References
| 1. (2015) 5-substituted indazoles as kinase inhibitors, |
Source
Source(1):