| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3675779
Max Phase: Preclinical
Molecular Formula: C14H13N3
Molecular Weight: 223.28
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ccc2nc(-c3ccccn3)[nH]c2c1C
Standard InChI: InChI=1S/C14H13N3/c1-9-6-7-11-13(10(9)2)17-14(16-11)12-5-3-4-8-15-12/h3-8H,1-2H3,(H,16,17)
Standard InChI Key: NEKDBGWOLPKQKH-UHFFFAOYSA-N
Associated Targets(Human)
Core-binding factor subunit beta 36 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: 223.28 | Molecular Weight (Monoisotopic): 223.1109 | AlogP: 3.24 | #Rotatable Bonds: 1 |
| Polar Surface Area: 41.57 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.05 | CX Basic pKa: 3.00 | CX LogP: 3.48 | CX LogD: 3.48 |
| Aromatic Rings: 3 | Heavy Atoms: 17 | QED Weighted: 0.69 | Np Likeness Score: -1.34 |
References
| 1. (2014) Inhibitors of inv(16) leukemia, |
Source
Source(1):