L-161,982 (EP4A)   Click here for help

GtoPdb Ligand ID: 1952

Synonyms: EP4A | L-161982 | L161982
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: EP4A is a selective EP4 receptor antagonist.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 12
Topological polar surface area 139.16
Molecular weight 654.16
XLogP 7
No. Lipinski's rules broken 2
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Canonical SMILES CCCCc1nn(c(=O)n1Cc1ccc(cc1)c1ccccc1S(=O)(=O)NC(=O)c1ccc(s1)C)c1ccccc1C(F)(F)F
Isomeric SMILES CCCCc1nn(c(=O)n1Cc1ccc(cc1)c1ccccc1S(=O)(=O)NC(=O)c1ccc(s1)C)c1ccccc1C(F)(F)F
InChI InChI=1S/C32H29F3N4O4S2/c1-3-4-13-29-36-39(26-11-7-6-10-25(26)32(33,34)35)31(41)38(29)20-22-15-17-23(18-16-22)24-9-5-8-12-28(24)45(42,43)37-30(40)27-19-14-21(2)44-27/h5-12,14-19H,3-4,13,20H2,1-2H3,(H,37,40)
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Compound class Synthetic organic
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Synonyms Click here for help
EP4A | L-161982 | L161982
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Specialist databases
GPCRdb Ligand L-161,982 (EP4A)
Other databases
GtoPdb PubChem SID 135650237
PubChem CID 5312129
Search Google for chemical match using the InChIKey JYZLVNVGBRFRME-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey JYZLVNVGBRFRME-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey JYZLVNVGBRFRME-UHFFFAOYSA-N