TOPIROXOSTAT

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 0J877412JV

Structure
InChI Key UBVZQGOVTLIHLH-UHFFFAOYSA-N
Smile N#Cc1cc(-c2n[nH]c(-c3ccncc3)n2)ccn1
InChI
InChI=1S/C13H8N6/c14-8-11-7-10(3-6-16-11)13-17-12(18-19-13)9-1-4-15-5-2-9/h1-7H,(H,17,18,19)

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H8N6
Molecular Weight 248.25
AlogP 1.8
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 91.14
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 19.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Xanthine dehydrogenase inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4
- - - - 18.6
Enzyme Oxidoreductase
- 4.8-5300 - 5.7 -
Enzyme Transferase
- - - -
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -68.85-61.76
Transporter Primary active transporter ATP-binding cassette ABCG subfamily
- 180 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Diabetic Nephropathies 2 D003928 ClinicalTrials
Hyperuricemia 2 D033461 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 577778-58-6
ChEMBL CHEMBL1078685
DrugBank DB01685
DrugCentral 4888
EPA CompTox DTXSID80206462
FDA SRS 0J877412JV
Guide to Pharmacology 10592
PDB FYX
PubChem 5288320
SureChEMBL SCHEMBL860420
ZINC ZINC000013536586
CONTENTS