PROGLUMIDE

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Synonyms
Status
Molecule Category UNKNOWN
ATC A02BX06
UNII EPL8W5565D
EPA CompTox DTXSID7023516

Structure

InChI Key DGMKFQYCZXERLX-UHFFFAOYSA-N
Smiles CCCN(CCC)C(=O)C(CCC(=O)O)NC(=O)c1ccccc1
InChI
InChI=1S/C18H26N2O4/c1-3-12-20(13-4-2)18(24)15(10-11-16(21)22)19-17(23)14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3,(H,19,23)(H,21,22)

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H26N2O4
Molecular Weight 334.42
AlogP 2.3
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 10.0
Polar Surface Area 86.71
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 24.0

Bioactivity

Mechanism of Action Action Reference
Cholecystokinin receptor antagonist ANTAGONIST PubMed PubMed PubMed
Protein: Cholecystokinin receptor
Description: Cholecystokinin receptor type A
Organism : Homo sapiens
P32238 ENSG00000163394
Protein: Cholecystokinin receptor
Description: Gastrin/cholecystokinin type B receptor
Organism : Homo sapiens
P32239 ENSG00000110148
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 105
Assay Description Organism Bioactivity Reference
Inhibition of sodium fluorescein uptake in OATP1B1-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM Cricetulus griseus 105.02 %
Inhibition of sodium fluorescein uptake in OATP1B3-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM Cricetulus griseus 104.84 %

Related Entries

Cross References

Resources Reference
ChEBI 32058
ChEMBL CHEMBL316561
DrugBank DB13431
DrugCentral 2281
FDA SRS EPL8W5565D
Guide to Pharmacology 893
PubChem 4922
SureChEMBL SCHEMBL93339
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