| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3683779
Max Phase: Preclinical
Molecular Formula: C13H10N4O
Molecular Weight: 238.25
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=c1c(-c2cccnc2)c[nH]n1-c1ccccn1
Standard InChI: InChI=1S/C13H10N4O/c18-13-11(10-4-3-6-14-8-10)9-16-17(13)12-5-1-2-7-15-12/h1-9,16H
Standard InChI Key: ZAHLNBNEUSTJDY-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: 238.25 | Molecular Weight (Monoisotopic): 238.0855 | AlogP: 1.62 | #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: 4.54 | CX LogP: 0.74 | CX LogD: -0.14 |
| Aromatic Rings: 3 | Heavy Atoms: 18 | QED Weighted: 0.74 | Np Likeness Score: -1.33 |
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, |
| 2. Joharapurkar AA, Pandya VB, Patel VJ, Desai RC, Jain MR.. (2018) Prolyl Hydroxylase Inhibitors: A Breakthrough in the Therapy of Anemia Associated with Chronic Diseases., 61 (16): [PMID:29712435] [10.1021/acs.jmedchem.7b01686] |
Source
Source(2):