| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4113583
Max Phase: Preclinical
Molecular Formula: C24H21N3O5
Molecular Weight: 431.45
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: N#Cc1nc(C(=O)NC2CCCC[C@H]2C(=O)O)c(O)c2ccc(Oc3ccccc3)cc12
Standard InChI: InChI=1S/C24H21N3O5/c25-13-20-18-12-15(32-14-6-2-1-3-7-14)10-11-16(18)22(28)21(26-20)23(29)27-19-9-5-4-8-17(19)24(30)31/h1-3,6-7,10-12,17,19,28H,4-5,8-9H2,(H,27,29)(H,30,31)/t17-,19?/m1/s1
Standard InChI Key: PWSVIULMYJEYNX-DUSLRRAJSA-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 |
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Properties
| Molecular Weight: 431.45 | Molecular Weight (Monoisotopic): 431.1481 | AlogP: 3.98 | #Rotatable Bonds: 5 |
| 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: 3.31 | CX Basic pKa: | CX LogP: 4.47 | CX LogD: -0.10 |
| Aromatic Rings: 3 | Heavy Atoms: 32 | QED Weighted: 0.56 | Np Likeness Score: -0.49 |
References
| 1. (2016) 4-hydroxy-isoquinoline compounds as HIF hydroxylase inhibitors, |
Source
Source(1):