FLAVOXATE

Search structure
Synonyms:
Status: Approved (1970)
Entry Type: Small molecule
Molecule Category: Parent
ATC: G04BD02
UNII: 3E74Y80MEY

Structure
InChI Key SPIUTQOUKAMGCX-UHFFFAOYSA-N
Smile Cc1c(-c2ccccc2)oc2c(C(=O)OCCN3CCCCC3)cccc2c1=O
InChI
InChI=1S/C24H25NO4/c1-17-21(26)19-11-8-12-20(23(19)29-22(17)18-9-4-2-5-10-18)24(27)28-16-15-25-13-6-3-7-14-25/h2,4-5,8-12H,3,6-7,13-16H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H25NO4
Molecular Weight 391.47
AlogP 4.41
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 5.0
Polar Surface Area 59.75
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 29.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - -
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - 9.73-11.75
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 24106.9 - 19750.3 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 15301-69-6
ChEBI 5088
ChEMBL CHEMBL1493
DrugBank DB01148
DrugCentral 1175
EPA CompTox DTXSID3023053
FDA SRS 3E74Y80MEY
Human Metabolome Database HMDB15279
Guide to Pharmacology 7187
KEGG C07809
PDB HWL
PharmGKB PA164781386
PubChem 3354
SureChEMBL SCHEMBL25801
ZINC ZINC000000608382
CONTENTS