CISAPRIDE

Search structure
Synonyms:
Status: Approved (1993) Withdrawn (2000)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: A03FA02
UNII: UVL329170W

Structure
InChI Key DCSUBABJRXZOMT-UHFFFAOYSA-N
Smile COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCOc2ccc(F)cc2)CC1OC
InChI
InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H29ClFN3O4
Molecular Weight 465.95
AlogP 3.36
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 86.05
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 32.0

Pharmacology

Primary Target
5-HT4 receptor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D6
- 70 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4
- 300 - - -
Enzyme Oxidoreductase
- 3370 - - -
Enzyme Transferase
- - - - -6.32-2.428
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -5.7--1.97
Ion channel Ligand-gated ion channel 5HT3 receptor
- 900 63.1-316.23 94.7-134 -
Ion channel Other ion channel Pore-forming toxins (proteins and peptides)
- - - - 10.6
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 6.457-25740 - 139.4 63.98-106.99
Ion channel Voltage-gated ion channel Voltage-gated calcium channel
- 16000-46900 - - -
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- 14700 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- 30-30 - 30-49 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- 227-473 - 227-227 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
54.7-55 6.1-6.1 - 14.3-45 -
Membrane receptor
54.7-55 227-473 - 14.3-45 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- 384 - 204 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 81098-60-4
ChEBI 95129
ChEMBL CHEMBL1729
DrugBank DB00604
DrugCentral 660
EPA CompTox DTXSID3022825
FDA SRS UVL329170W
Guide to Pharmacology 240
KEGG C06910
PharmGKB PA449011
PubChem 2769
SureChEMBL SCHEMBL16131
CONTENTS