| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4111031
Max Phase: Preclinical
Molecular Formula: C21H17N3O6
Molecular Weight: 407.38
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: N#Cc1nc(C(=O)N[C@@H](CO)CC(=O)O)c(O)c2ccc(Oc3ccccc3)cc12
Standard InChI: InChI=1S/C21H17N3O6/c22-10-17-16-9-14(30-13-4-2-1-3-5-13)6-7-15(16)20(28)19(24-17)21(29)23-12(11-25)8-18(26)27/h1-7,9,12,25,28H,8,11H2,(H,23,29)(H,26,27)/t12-/m1/s1
Standard InChI Key: OJIYDCAAQILCAJ-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 |
|---|
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: 407.38 | Molecular Weight (Monoisotopic): 407.1117 | AlogP: 2.17 | #Rotatable Bonds: 7 |
| 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: 3.13 | CX Basic pKa: | CX LogP: 2.38 | CX LogD: -2.23 |
| Aromatic Rings: 3 | Heavy Atoms: 30 | QED Weighted: 0.46 | Np Likeness Score: -0.39 |
References
| 1. (2016) 4-hydroxy-isoquinoline compounds as HIF hydroxylase inhibitors, |
Source
Source(1):