MOSAPRIDE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: Parent
ATC: A03FA09
UNII: I8MFJ1C0BY

Structure
InChI Key YPELFRMCRYSPKZ-UHFFFAOYSA-N
Smile CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1
InChI
InChI=1S/C21H25ClFN3O3/c1-2-28-20-10-19(24)18(22)9-17(20)21(27)25-11-16-13-26(7-8-29-16)12-14-3-5-15(23)6-4-14/h3-6,9-10,16H,2,7-8,11-13,24H2,1H3,(H,25,27)

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H25ClFN3O3
Molecular Weight 421.9
AlogP 3.09
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 76.82
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 29.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Serotonin 3 (5-HT3) receptor antagonist
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 1 Cytochrome P450 family 1A Cytochrome P450 1A2
- 400 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C19
- 1000 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C9
- 1000 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4
- 700 - - -
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - 9.53-14.28
Ion channel Ligand-gated ion channel 5HT3 receptor
- - - 1189 -
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 4786.3-4800 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- 1908 - 1379.8 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- 113-881.8 - 69.9-147 -
Membrane receptor
- 113-881.8 - 69.9-147 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- 3811.7 - 2024.9 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Irritable Bowel Syndrome 3 D043183 ClinicalTrials
Constipation 3 D003248 ClinicalTrials
Dyspepsia 3 D004415 ClinicalTrials
Ileus 3 D045823 ClinicalTrials
Gastritis 1 D005756 ClinicalTrials
Diarrhea 1 D003967 ClinicalTrials
Rectal Diseases 1 D012002 ClinicalTrials

Related Entries

Salt

Cross References

Resources Reference
CAS NUMBER 112885-41-3
ChEBI 167204
ChEMBL CHEMBL60889
DrugBank DB11675
DrugCentral 1848
EPA CompTox DTXSID2048408
FDA SRS I8MFJ1C0BY
Guide to Pharmacology 242
PubChem 119584
SureChEMBL SCHEMBL16417
CONTENTS