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Name | CHEMBL603462 |
---|---|
Molecular formula | C25H22F3NO3S |
IUPAC name | 4-[1-[[2,5-dimethyl-4-[[3-(trifluoromethyl)phenyl]methyl]thiophene-3-carbonyl]amino]cyclopropyl]benzoic acid |
Molecular weight | 473.51 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 2 |
XlogP | 5.9 |
Synonyms | SCHEMBL2352729 4-{1-[({2,5-Dimethyl-4-[3-(trifluoromethyl)benzyl]-3-thienyl}-carbonyl)amino]cyclopropyl}benzoic Acid BDBM50308130 |
Inchi Key | FFFKIGGQAODEPS-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C25H22F3NO3S/c1-14-20(13-16-4-3-5-19(12-16)25(26,27)28)21(15(2)33-14)22(30)29-24(10-11-24)18-8-6-17(7-9-18)23(31)32/h3-9,12H,10-11,13H2,1-2H3,(H,29,30)(H,31,32) |
PubChem CID | 24953624 |
ChEMBL | CHEMBL603462 |
IUPHAR | N/A |
BindingDB | 50308130 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
77034 | Prostacyclin receptor | P43119 | PTGIR | Homo sapiens (Human) | 386 |
77038 | Prostaglandin D2 receptor | Q13258 | PTGDR | Homo sapiens (Human) | 359 |
77040 | Prostaglandin D2 receptor 2 | Q9Y5Y4 | PTGDR2 | Homo sapiens (Human) | 395 |
77039 | Prostaglandin E2 receptor EP1 subtype | P34995 | PTGER1 | Homo sapiens (Human) | 402 |
77033 | Prostaglandin E2 receptor EP2 subtype | P43116 | PTGER2 | Homo sapiens (Human) | 358 |
77041 | Prostaglandin E2 receptor EP3 subtype | P43115 | PTGER3 | Homo sapiens (Human) | 390 |
77035 | Prostaglandin E2 receptor EP4 subtype | P35408 | PTGER4 | Homo sapiens (Human) | 488 |
77036 | Prostaglandin F2-alpha receptor | P43088 | PTGFR | Homo sapiens (Human) | 359 |
77037 | Thromboxane A2 receptor | P21731 | TBXA2R | Homo sapiens (Human) | 343 |
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