| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4112446
Max Phase: Preclinical
Molecular Formula: C28H23N3O5
Molecular Weight: 481.51
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: N#Cc1nc(C(=O)N[C@H](CCc2ccccc2)CC(=O)O)c(O)c2ccc(Oc3ccccc3)cc12
Standard InChI: InChI=1S/C28H23N3O5/c29-17-24-23-16-21(36-20-9-5-2-6-10-20)13-14-22(23)27(34)26(31-24)28(35)30-19(15-25(32)33)12-11-18-7-3-1-4-8-18/h1-10,13-14,16,19,34H,11-12,15H2,(H,30,35)(H,32,33)/t19-/m1/s1
Standard InChI Key: WZJDYOWVFHSRTF-LJQANCHMSA-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: 481.51 | Molecular Weight (Monoisotopic): 481.1638 | AlogP: 4.81 | #Rotatable Bonds: 9 |
| 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: 3.55 | CX Basic pKa: | CX LogP: 5.53 | CX LogD: 1.02 |
| Aromatic Rings: 4 | Heavy Atoms: 36 | QED Weighted: 0.31 | Np Likeness Score: -0.26 |
References
| 1. (2016) 4-hydroxy-isoquinoline compounds as HIF hydroxylase inhibitors, |
Source
Source(1):