| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4114889
Max Phase: Preclinical
Molecular Formula: C23H19N3O4S
Molecular Weight: 433.49
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: N#Cc1nc(C(=O)NCC2(C(=O)O)CCC2)c(O)c2ccc(Sc3ccccc3)cc12
Standard InChI: InChI=1S/C23H19N3O4S/c24-12-18-17-11-15(31-14-5-2-1-3-6-14)7-8-16(17)20(27)19(26-18)21(28)25-13-23(22(29)30)9-4-10-23/h1-3,5-8,11,27H,4,9-10,13H2,(H,25,28)(H,29,30)
Standard InChI Key: WZEVEULDNFXEFI-UHFFFAOYSA-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 |
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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: 433.49 | Molecular Weight (Monoisotopic): 433.1096 | AlogP: 3.95 | #Rotatable Bonds: 6 |
| Polar Surface Area: 123.31 | Molecular Species: ACID | HBA: 6 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.21 | CX Basic pKa: | CX LogP: 4.78 | CX LogD: 0.15 |
| Aromatic Rings: 3 | Heavy Atoms: 31 | QED Weighted: 0.54 | Np Likeness Score: -0.63 |
References
| 1. (2016) 4-hydroxy-isoquinoline compounds as HIF hydroxylase inhibitors, |
Source
Source(1):