| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1089985
Max Phase: Preclinical
Molecular Formula: C10H8N4
Molecular Weight: 184.20
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: c1cc(-c2cn[nH]c2)c2cc[nH]c2n1
Standard InChI: InChI=1S/C10H8N4/c1-3-11-10-9(2-4-12-10)8(1)7-5-13-14-6-7/h1-6H,(H,11,12)(H,13,14)
Standard InChI Key: FATFDRYYCYZBQB-UHFFFAOYSA-N
Associated Targets(Human)
Aurora kinase A/Targeting protein for Xklp2 24 Activities
Aurora kinase B/Inner centromere protein 233 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Serine/threonine-protein kinase Aurora-B 6805 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
A549 127892 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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: 184.20 | Molecular Weight (Monoisotopic): 184.0749 | AlogP: 1.95 | #Rotatable Bonds: 1 |
| Polar Surface Area: 57.36 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 3.08 | CX LogP: 1.17 | CX LogD: 1.17 |
| Aromatic Rings: 3 | Heavy Atoms: 14 | QED Weighted: 0.61 | Np Likeness Score: -1.15 |
References
| 1. Medina JR, Grant SW, Axten JM, Miller WH, Donatelli CA, Hardwicke MA, Oleykowski CA, Liao Q, Plant R, Xiang H.. (2010) Discovery of a new series of Aurora inhibitors through truncation of GSK1070916., 20 (8): [PMID:20335034] [10.1016/j.bmcl.2010.02.091] |
Source
Source(1):