CE-326597

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 1FGZ6L9SF2

Structure
InChI Key UBNMGTSDHSQBEL-PMERELPUSA-N
Smile CC(C)N(Cc1ccccc1)C(=O)CN1C(=O)[C@@H](Cc2c[nH]c3ccccc23)c2nnc(-c3ccccc3)n2-c2ccccc21
InChI
InChI=1S/C37H34N6O2/c1-25(2)41(23-26-13-5-3-6-14-26)34(44)24-42-32-19-11-12-20-33(32)43-35(27-15-7-4-8-16-27)39-40-36(43)30(37(42)45)21-28-22-38-31-18-10-9-17-29(28)31/h3-20,22,25,30,38H,21,23-24H2,1-2H3/t30-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C37H34N6O2
Molecular Weight 594.72
AlogP 6.53
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 87.12
Molecular species NEUTRAL
Aromatic Rings 6.0
Heavy Atoms 45.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Cholecystokinin A receptor agonist PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Cholecystokinin receptor
1-315 2-1000 - 25-427 34

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Obesity 2 D009765 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL1269258
DrugBank DB12694
FDA SRS 1FGZ6L9SF2
Guide to Pharmacology 9055
PubChem 52949124
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