AMINOPYRINE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 01704YP3MO

Structure
InChI Key RMMXTBMQSGEXHJ-UHFFFAOYSA-N
Smile Cc1c(N(C)C)c(=O)n(-c2ccccc2)n1C
InChI
InChI=1S/C13H17N3O/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11/h5-9H,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H17N3O
Molecular Weight 231.3
AlogP 1.55
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 2.0
Polar Surface Area 30.17
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 17.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - -
Enzyme Ligase
- - - 1 -
Enzyme Transferase
- - - - 16.17-27.62
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -9.4-7.12
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 23.8

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Cross References

Resources Reference
ChEBI 160246
ChEMBL CHEMBL288470
DrugBank DB01424
DrugCentral 171
EPA CompTox DTXSID7020504
FDA SRS 01704YP3MO
Human Metabolome Database HMDB0015493
KEGG C07539
PharmGKB PA164748135
SureChEMBL SCHEMBL26293
ZINC ZINC000000057115
CONTENTS