PF-5190457

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Synonyms
Status
Molecule Category Free-form
UNII FF33NL9U5G

Structure

InChI Key ZIUDADZJCKGWKR-AREMUKBSSA-N
Smiles 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
Number of Rotational Bond 4.0
Polar Surface Area 66.63
Molecular species BASE
Aromatic Rings 4.0
Heavy Atoms 37.0

Pharmacology

Mechanism of Action Action Reference
Ghrelin receptor inverse agonist INVERSE AGONIST PubMed PubMed 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) GRP-related receptor
- - - 6.607-6.607
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - 6.607-6.607

Target Conservation

Protein: Ghrelin receptor
Description: Growth hormone secretagogue receptor type 1
Organism : Homo sapiens
Q92847 ENSG00000121853

Cross References

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