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Name | EP4A |
---|---|
Molecular formula | C32H29F3N4O4S2 |
IUPAC name | N-[2-[4-[[3-butyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonyl-5-methylthiophene-2-carboxamide |
Molecular weight | 654.723 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 1 |
XlogP | 7.3 |
Synonyms | N-[2-[4-[[3-butyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonyl-5-methyl-2-thiophenecarboxamide 4''-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5-dihydro-[1,2,4]triazol-4-ylmethyl]-biphenyl-2-sulfonic acid (5-methyl-thiophene-2-carbonyl)-amide; compound with dichloro-methane EP4 antagonists (inflammatory pain) GTPL1952 SCHEMBL9566072 [ Show all ] |
Inchi Key | JYZLVNVGBRFRME-UHFFFAOYSA-N |
Inchi ID | 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) |
PubChem CID | 5312129 |
ChEMBL | N/A |
IUPHAR | 1952 |
BindingDB | 50039855 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
554105 | Prostaglandin E2 receptor EP4 subtype | P43114 | Ptger4 | Rattus norvegicus (Rat) | 488 |
554106 | Prostaglandin E2 receptor EP4 subtype | P35408 | PTGER4 | Homo sapiens (Human) | 488 |
163504 | Type-1 angiotensin II receptor | P34976 | AGTR1 | Oryctolagus cuniculus (Rabbit) | 359 |
163506 | Type-2 angiotensin II receptor | P35351 | Agtr2 | Rattus norvegicus (Rat) | 363 |
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