PF-05190457   Click here for help

GtoPdb Ligand ID: 9060

Synonyms: PF-5190457
PDB Ligand
Compound class: Synthetic organic
Comment: PF-05190457 is a selective, orally bioavailable and competitive antagonist of the ghrelin receptor [1], with potential therapeutic utility for the treatment of obesity and type 2 diabetes [2], and for treating alcohol use disorder.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 94.87
Molecular weight 512.24
XLogP 2.94
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Cc1ncnc(c1)c1ccc2c(c1)CCC2N1CC2(C1)CCN(CC2)C(=O)Cc1nc2n(c1)cc(s2)C
Isomeric SMILES Cc1ncnc(c1)c1ccc2c(c1)CC[C@H]2N1CC2(C1)CCN(CC2)C(=O)Cc1nc2n(c1)cc(s2)C
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
InChI Key ZIUDADZJCKGWKR-AREMUKBSSA-N
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Summary of Clinical Use Click here for help
PF-05190457 was advanced to clinical evaluation in several early stage trials.
Clinical Trials
Clinical Trial ID Title Type Source Comment References
NCT01247896 Single Dose Escalation Study of PF-05190457 in Healthy Volunteers Phase 1 Interventional Pfizer
NCT02039349 A Novel Compound for Alcoholism Treatment Phase 1 Interventional National Institutes of Health Clinical Center (CC)
NCT02707055 A Novel Compound for Alcoholism Treatment: A Translational Strategy - Part II Phase 2 Interventional National Institutes of Health Clinical Center (CC)