ITRIGLUMIDE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 879A12466H

Structure
InChI Key MFOOVZCXWVAWOV-RUZDIDTESA-N
Smile Cc1cc(C)c(NC(=O)C[C@H](CC(=O)O)c2cccc3ccccc23)c(C(=O)N2CCC3(CCCC3)CC2)c1
InChI
InChI=1S/C33H38N2O4/c1-22-18-23(2)31(28(19-22)32(39)35-16-14-33(15-17-35)12-5-6-13-33)34-29(36)20-25(21-30(37)38)27-11-7-9-24-8-3-4-10-26(24)27/h3-4,7-11,18-19,25H,5-6,12-17,20-21H2,1-2H3,(H,34,36)(H,37,38)/t25-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C33H38N2O4
Molecular Weight 526.68
AlogP 6.84
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 86.71
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 39.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Cholecystokinin B receptor antagonist PubMed Other

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL1256717
EPA CompTox DTXSID8048444
FDA SRS 879A12466H
Guide to Pharmacology 909
PubChem 6604121
SureChEMBL SCHEMBL12112889
ZINC ZINC000001544617
CONTENTS