| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3683783
Max Phase: Preclinical
Molecular Formula: C14H13N5O
Molecular Weight: 267.29
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: NCc1ccnc(-n2[nH]cc(-c3cccnc3)c2=O)c1
Standard InChI: InChI=1S/C14H13N5O/c15-7-10-3-5-17-13(6-10)19-14(20)12(9-18-19)11-2-1-4-16-8-11/h1-6,8-9,18H,7,15H2
Standard InChI Key: ICCGIBTWBHPFQU-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: 267.29 | Molecular Weight (Monoisotopic): 267.1120 | AlogP: 1.08 | #Rotatable Bonds: 3 |
| Polar Surface Area: 89.59 | Molecular Species: ZWITTERION | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 5.87 | CX Basic pKa: 9.03 | CX LogP: -1.16 | CX LogD: -1.14 |
| Aromatic Rings: 3 | Heavy Atoms: 20 | QED Weighted: 0.74 | Np Likeness Score: -1.04 |
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):