MK-2894   Click here for help

GtoPdb Ligand ID: 4041

Synonyms: MK 2894 | MK2894
Compound class: Synthetic organic
Comment: MK-2894 is an EP4 receptor antagonist.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 94.64
Molecular weight 473.13
XLogP 4.74
No. Lipinski's rules broken 0
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Canonical SMILES OC(=O)c1ccc(cc1)C1(CC1)NC(=O)c1c(C)sc(c1Cc1ccc(cc1)C(F)(F)F)C
Isomeric SMILES OC(=O)c1ccc(cc1)C1(CC1)NC(=O)c1c(C)sc(c1Cc1ccc(cc1)C(F)(F)F)C
InChI InChI=1S/C25H22F3NO3S/c1-14-20(13-16-3-7-19(8-4-16)25(26,27)28)21(15(2)33-14)22(30)29-24(11-12-24)18-9-5-17(6-10-18)23(31)32/h3-10H,11-13H2,1-2H3,(H,29,30)(H,31,32)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-[1-[[2,5-dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]thiophene-3-carbonyl]amino]cyclopropyl]benzoic acid
Synonyms Click here for help
MK 2894 | MK2894
Database Links Click here for help
Specialist databases
GPCRdb Ligand MK-2894
Other databases
CAS Registry No. 1006036-87-8 (source: Scifinder)
ChEMBL Ligand CHEMBL597997
GtoPdb PubChem SID 178100865
PubChem CID 24952929
Search Google for chemical match using the InChIKey QJZQFVRFJCGDKF-UHFFFAOYSA-N
Search Google for chemicals with the same backbone QJZQFVRFJCGDKF
UniChem Compound Search for chemical match using the InChIKey QJZQFVRFJCGDKF-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey QJZQFVRFJCGDKF-UHFFFAOYSA-N