| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4111670
Max Phase: Preclinical
Molecular Formula: C21H17N3O5
Molecular Weight: 391.38
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C[C@H](CNC(=O)c1nc(C#N)c2cc(Oc3ccccc3)ccc2c1O)C(=O)O
Standard InChI: InChI=1S/C21H17N3O5/c1-12(21(27)28)11-23-20(26)18-19(25)15-8-7-14(9-16(15)17(10-22)24-18)29-13-5-3-2-4-6-13/h2-9,12,25H,11H2,1H3,(H,23,26)(H,27,28)/t12-/m1/s1
Standard InChI Key: UBEYTGBZRYCLOZ-GFCCVEGCSA-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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 391.38 | Molecular Weight (Monoisotopic): 391.1168 | AlogP: 3.05 | #Rotatable Bonds: 6 |
| 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: 3.14 | CX Basic pKa: | CX LogP: 3.55 | CX LogD: -1.05 |
| Aromatic Rings: 3 | Heavy Atoms: 29 | QED Weighted: 0.59 | Np Likeness Score: -0.49 |
References
| 1. (2016) 4-hydroxy-isoquinoline compounds as HIF hydroxylase inhibitors, |
Source
Source(1):