| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4110971
Max Phase: Preclinical
Molecular Formula: C22H18N4O5
Molecular Weight: 418.41
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: N#Cc1nc(C(=O)NCC2(C(=O)O)CCC2)c(O)c2ccc(Oc3cccnc3)cc12
Standard InChI: InChI=1S/C22H18N4O5/c23-10-17-16-9-13(31-14-3-1-8-24-11-14)4-5-15(16)19(27)18(26-17)20(28)25-12-22(21(29)30)6-2-7-22/h1,3-5,8-9,11,27H,2,6-7,12H2,(H,25,28)(H,29,30)
Standard InChI Key: NYIXYQZNDODKLM-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: 418.41 | Molecular Weight (Monoisotopic): 418.1277 | AlogP: 2.98 | #Rotatable Bonds: 6 |
| Polar Surface Area: 145.43 | Molecular Species: ACID | HBA: 7 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 9 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.17 | CX Basic pKa: 4.63 | CX LogP: 1.77 | CX LogD: -1.64 |
| Aromatic Rings: 3 | Heavy Atoms: 31 | QED Weighted: 0.55 | Np Likeness Score: -0.68 |
References
| 1. (2016) 4-hydroxy-isoquinoline compounds as HIF hydroxylase inhibitors, |
Source
Source(1):