Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: FF33NL9U5G

Structure

InChI Key ZIUDADZJCKGWKR-AREMUKBSSA-N
Smile Cc1cc(-c2ccc3c(c2)CC[C@H]3N2CC3(CCN(C(=O)Cc4cn5cc(C)sc5n4)CC3)C2)ncn1
InChI
InChI=1S/C29H32N6OS/c1-19-11-25(31-18-30-19)22-3-5-24-21(12-22)4-6-26(24)35-16-29(17-35)7-9-33(10-8-29)27(36)13-23-15-34-14-20(2)37-28(34)32-23/h3,5,11-12,14-15,18,26H,4,6-10,13,16-17H2,1-2H3/t26-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H32N6OS
Molecular Weight 512.68
AlogP 4.62
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 66.63
Molecular species BASE
Aromatic Rings 4.0
Heavy Atoms 37.0

Pharmacology

Action Mechanism of Action Reference
INVERSE AGONIST Ghrelin receptor inverse agonist PubMed PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Alcoholism 2 D000437 ClinicalTrials
Diabetes Mellitus, Type 2 1 D003924 ClinicalTrials
Alcohol Drinking 1 D000428 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL3287218
DrugBank DB14870
FDA SRS FF33NL9U5G
Guide to Pharmacology 9060
PubChem 58438464
SureChEMBL SCHEMBL2445443
ZINC ZINC000072317087