| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3683780
Max Phase: Preclinical
Molecular Formula: C14H12N4O2
Molecular Weight: 268.28
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=c1c(-c2cccnc2)c[nH]n1-c1ccc(CO)cn1
Standard InChI: InChI=1S/C14H12N4O2/c19-9-10-3-4-13(16-6-10)18-14(20)12(8-17-18)11-2-1-5-15-7-11/h1-8,17,19H,9H2
Standard InChI Key: LADVMLZJFNXBAO-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: 268.28 | Molecular Weight (Monoisotopic): 268.0960 | AlogP: 1.11 | #Rotatable Bonds: 3 |
| Polar Surface Area: 83.80 | Molecular Species: ACID | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 5.93 | CX Basic pKa: 4.14 | CX LogP: 0.04 | CX LogD: -0.91 |
| Aromatic Rings: 3 | Heavy Atoms: 20 | QED Weighted: 0.75 | Np Likeness Score: -0.84 |
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):