BEPRIDIL

Search structure
Status: Approved (1990)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: C08EA02
UNII: 755BO701MA

Structure
InChI Key UIEATEWHFDRYRU-UHFFFAOYSA-N
Smile CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1
InChI
InChI=1S/C24H34N2O/c1-21(2)19-27-20-24(25-15-9-10-16-25)18-26(23-13-7-4-8-14-23)17-22-11-5-3-6-12-22/h3-8,11-14,21,24H,9-10,15-20H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H34N2O
Molecular Weight 366.55
AlogP 4.83
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 10.0
Polar Surface Area 15.71
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 27.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C19
- 32200 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C9
- 4310 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4
- 23600 - - -
Enzyme Hydrolase
- - - - -1.745--0.3241
Enzyme Protease Metallo protease Metallo protease MAE clan Metallo protease M34 family
- 4800 - - -
Enzyme
- 11500 - - -1.745--0.3241
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -8.61-23.2
Ion channel Voltage-gated ion channel Potassium channels Two-pore domain potassium channel
- 4100 - - -
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 22.91-1400 - 184-444 -
Ion channel Voltage-gated ion channel Voltage-gated calcium channel
- 211-2600 - - -
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- 3700 - - 96.2
Surface antigen
- - 290000 - -
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- - - - 100
Unclassified protein
- 16270 - - 55.3

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 3061
ChEMBL CHEMBL1008
DrugBank DB01244
DrugCentral 342
EPA CompTox DTXSID3022663
FDA SRS 755BO701MA
Human Metabolome Database HMDB15374
Guide to Pharmacology 2337
KEGG C06847
PharmGKB PA164754755
PubChem 2351
SureChEMBL SCHEMBL34412
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