| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3971536
Max Phase: Preclinical
Molecular Formula: C26H24N6
Molecular Weight: 420.52
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: c1ccc(CNc2n[nH]c3ccc(-c4nnn(Cc5ccccc5)c4C4CC4)cc23)cc1
Standard InChI: InChI=1S/C26H24N6/c1-3-7-18(8-4-1)16-27-26-22-15-21(13-14-23(22)28-30-26)24-25(20-11-12-20)32(31-29-24)17-19-9-5-2-6-10-19/h1-10,13-15,20H,11-12,16-17H2,(H2,27,28,30)
Standard InChI Key: MPDOGXPNSZOERG-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: 420.52 | Molecular Weight (Monoisotopic): 420.2062 | AlogP: 5.36 | #Rotatable Bonds: 7 |
| Polar Surface Area: 71.42 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 3.27 | CX LogP: 5.52 | CX LogD: 5.52 |
| Aromatic Rings: 5 | Heavy Atoms: 32 | QED Weighted: 0.37 | Np Likeness Score: -1.36 |
References
| 1. (2015) 5-substituted indazoles as kinase inhibitors, |
Source
Source(1):