VOXELOTOR

Search structure
Synonyms:
Status: Approved (2019)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 3ZO554A4Q8

Structure
InChI Key FWCVZAQENIZVMY-UHFFFAOYSA-N
Smile CC(C)n1nccc1-c1ncccc1COc1cccc(O)c1C=O
InChI
InChI=1S/C19H19N3O3/c1-13(2)22-16(8-10-21-22)19-14(5-4-9-20-19)12-25-18-7-3-6-17(24)15(18)11-23/h3-11,13,24H,12H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H19N3O3
Molecular Weight 337.38
AlogP 3.62
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 77.24
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 25.0

Pharmacology

Action Mechanism of Action Reference
POSITIVE MODULATOR Hemoglobin HbA positive modulator PubMed FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 1 Cytochrome P450 family 1A Cytochrome P450 1A2
- 58600 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C19
- 20000 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C8
- 7900 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C9
- 8500 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4
- 12500-81900 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Idiopathic Pulmonary Fibrosis 2 D054990 ClinicalTrials
Liver Diseases 1 D008107 ClinicalTrials
Kidney Diseases 1 D007674 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 1446321-46-5
ChEMBL CHEMBL4101807
DrugBank DB14975
DrugCentral 5356
FDA SRS 3ZO554A4Q8
Guide to Pharmacology 10559
PubChem 71602803
SureChEMBL SCHEMBL15065529
ZINC ZINC000145969085
CONTENTS