PF-06372222   

GtoPdb Ligand ID: 9575

Compound class: Synthetic organic
Comment: Negative allosteric modulator of the GLP-1 receptor.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 11
Topological polar surface area 108.62
Molecular weight 515.21
XLogP 5.38
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES OC(=O)CCNC(=O)c1ccc(cc1)C(C1CC(C1)(C)C)Nc1ccc(nc1)n1cnc(c1)C(F)(F)F
Isomeric SMILES OC(=O)CCNC(=O)c1ccc(cc1)[C@@H](C1CC(C1)(C)C)Nc1ccc(nc1)n1cnc(c1)C(F)(F)F
InChI InChI=1S/C26H28F3N5O3/c1-25(2)11-18(12-25)23(16-3-5-17(6-4-16)24(37)30-10-9-22(35)36)33-19-7-8-21(31-13-19)34-14-20(32-15-34)26(27,28)29/h3-8,13-15,18,23,33H,9-12H2,1-2H3,(H,30,37)(H,35,36)/t23-/m0/s1
InChI Key MYZIDYJMNWEJMC-QHCPKHFHSA-N