| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3683781
Max Phase: Preclinical
Molecular Formula: C14H12N4O
Molecular Weight: 252.28
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ncccc1-c1c[nH]n(-c2ccccn2)c1=O
Standard InChI: InChI=1S/C14H12N4O/c1-10-11(5-4-8-15-10)12-9-17-18(14(12)19)13-6-2-3-7-16-13/h2-9,17H,1H3
Standard InChI Key: MFHPFKHGHQQNFQ-UHFFFAOYSA-N
Associated Targets(Human)
Von Hippel-Lindau disease tumor suppressor 136 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: 252.28 | Molecular Weight (Monoisotopic): 252.1011 | AlogP: 1.93 | #Rotatable Bonds: 2 |
| Polar Surface Area: 63.57 | Molecular Species: ACID | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 5.93 | CX Basic pKa: 4.58 | CX LogP: 0.86 | CX LogD: -0.01 |
| Aromatic Rings: 3 | Heavy Atoms: 19 | QED Weighted: 0.76 | Np Likeness Score: -1.02 |
References
| 1. (2015) 4-(pyridin-3-yl)-2(pyridin-2yl)-1,2-dihydro-3H-pyrazol-3-one derivatives as specific HIF-pyrolyl-4-hydroxylase inhibitors for treating cardiovascular and haematological diseases, |
Source
Source(1):