| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4111822
Max Phase: Preclinical
Molecular Formula: C23H20N4O6
Molecular Weight: 448.44
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(=O)N[C@H](CCNC(=O)c1nc(C#N)c2cc(Oc3ccccc3)ccc2c1O)C(=O)O
Standard InChI: InChI=1S/C23H20N4O6/c1-13(28)26-18(23(31)32)9-10-25-22(30)20-21(29)16-8-7-15(11-17(16)19(12-24)27-20)33-14-5-3-2-4-6-14/h2-8,11,18,29H,9-10H2,1H3,(H,25,30)(H,26,28)(H,31,32)/t18-/m1/s1
Standard InChI Key: PNTSTXDGTUPCTD-GOSISDBHSA-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: 448.44 | Molecular Weight (Monoisotopic): 448.1383 | AlogP: 2.31 | #Rotatable Bonds: 8 |
| Polar Surface Area: 161.64 | Molecular Species: ACID | HBA: 7 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 10 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 2.91 | CX Basic pKa: | CX LogP: 2.07 | CX LogD: -2.57 |
| Aromatic Rings: 3 | Heavy Atoms: 33 | QED Weighted: 0.41 | Np Likeness Score: -0.51 |
References
| 1. (2016) 4-hydroxy-isoquinoline compounds as HIF hydroxylase inhibitors, |
Source
Source(1):