FELCISETRAG

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Synonyms
Status
Molecule Category Free-form
UNII 35F0Y2W16Q

Structure

InChI Key MZOITCJKGUIQEI-UHFFFAOYSA-N
Smiles COC(=O)N1CCC(CN2CCC(CNC(=O)c3cccc4[nH]c(C(C)C)nc34)CC2)CC1
InChI
InChI=1S/C25H37N5O3/c1-17(2)23-27-21-6-4-5-20(22(21)28-23)24(31)26-15-18-7-11-29(12-8-18)16-19-9-13-30(14-10-19)25(32)33-3/h4-6,17-19H,7-16H2,1-3H3,(H,26,31)(H,27,28)

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H37N5O3
Molecular Weight 455.6
AlogP 3.61
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 90.56
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 33.0

Pharmacology

Mechanism of Action Action Reference
Serotonin 4 (5-HT4) receptor agonist AGONIST Other
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- - - - 11
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
0.5012-8.6 - - 0.3981 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
2.512-8.6 - - - -
Homo sapiens
0.5012-1.5 - - 0.3981 11

Target Conservation

Protein: Serotonin 4 (5-HT4) receptor
Description: 5-hydroxytryptamine receptor 4
Organism : Homo sapiens
Q13639 ENSG00000164270

Cross References

Resources Reference
ChEMBL CHEMBL2402904
DrugBank DB12725
FDA SRS 35F0Y2W16Q
Guide to Pharmacology 8426
SureChEMBL SCHEMBL390795
ZINC ZINC000043150989
CONTENTS