| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4113879
Max Phase: Preclinical
Molecular Formula: C27H21N3O6
Molecular Weight: 483.48
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: N#Cc1nc(C(=O)N[C@H](Cc2ccccc2)[C@@H](O)C(=O)O)c(O)c2ccc(Oc3ccccc3)cc12
Standard InChI: InChI=1S/C27H21N3O6/c28-15-22-20-14-18(36-17-9-5-2-6-10-17)11-12-19(20)24(31)23(29-22)26(33)30-21(25(32)27(34)35)13-16-7-3-1-4-8-16/h1-12,14,21,25,31-32H,13H2,(H,30,33)(H,34,35)/t21-,25-/m1/s1
Standard InChI Key: PSHSWZKBKOJOFZ-PXDATVDWSA-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: 483.48 | Molecular Weight (Monoisotopic): 483.1430 | AlogP: 3.39 | #Rotatable Bonds: 8 |
| Polar Surface Area: 152.77 | Molecular Species: ACID | HBA: 7 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 9 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 2.98 | CX Basic pKa: | CX LogP: 4.37 | CX LogD: -0.26 |
| Aromatic Rings: 4 | Heavy Atoms: 36 | QED Weighted: 0.30 | Np Likeness Score: -0.24 |
References
| 1. (2016) 4-hydroxy-isoquinoline compounds as HIF hydroxylase inhibitors, |
Source
Source(1):