| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4112295
Max Phase: Preclinical
Molecular Formula: C26H19N3O5
Molecular Weight: 453.45
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: N#Cc1nc(C(=O)N[C@H](CC(=O)O)c2ccccc2)c(O)c2ccc(Oc3ccccc3)cc12
Standard InChI: InChI=1S/C26H19N3O5/c27-15-22-20-13-18(34-17-9-5-2-6-10-17)11-12-19(20)25(32)24(28-22)26(33)29-21(14-23(30)31)16-7-3-1-4-8-16/h1-13,21,32H,14H2,(H,29,33)(H,30,31)/t21-/m1/s1
Standard InChI Key: DGJDZGFFYSIJTN-OAQYLSRUSA-N
Associated Targets(Human)
Hypoxia-inducible factor prolyl hydroxylase 1 404 Activities
Egl nine homolog 1 1702 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: 453.45 | Molecular Weight (Monoisotopic): 453.1325 | AlogP: 4.55 | #Rotatable Bonds: 7 |
| Polar Surface Area: 132.54 | Molecular Species: ACID | HBA: 6 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.39 | CX Basic pKa: | CX LogP: 4.79 | CX LogD: 0.24 |
| Aromatic Rings: 4 | Heavy Atoms: 34 | QED Weighted: 0.37 | Np Likeness Score: -0.59 |
References
| 1. (2016) 4-hydroxy-isoquinoline compounds as HIF hydroxylase inhibitors, |
Source
Source(1):