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Name | CHEMBL90491 |
---|---|
Molecular formula | C37H32N2O4S |
IUPAC name | N-[2-[4-[(6-oxo-11,12-dihydrobenzo[c][1]benzazocin-5-yl)methyl]phenyl]phenyl]sulfonyl-2-phenylpropanamide |
Molecular weight | 600.733 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 7.3 |
Synonyms | BDBM50081453 alpha-Methyl-N-[4'-(6-oxo-5,6,11,12-tetrahydrodibenzo[b,f]azocine-5-ylmethyl)-2-biphenylylsulfonyl]benzeneacetamide 4''-(6-Oxo-11,12-dihydro-6H-dibenzo[b,f]azocin-5-ylmethyl)-biphenyl-2-sulfonic acid (2-phenyl-propionyl)-amide |
Inchi Key | AWTBWGONODQBEZ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C37H32N2O4S/c1-26(28-11-3-2-4-12-28)36(40)38-44(42,43)35-18-10-8-15-32(35)30-21-19-27(20-22-30)25-39-34-17-9-6-14-31(34)24-23-29-13-5-7-16-33(29)37(39)41/h2-22,26H,23-25H2,1H3,(H,38,40) |
PubChem CID | 9938626 |
ChEMBL | CHEMBL90491 |
IUPHAR | N/A |
BindingDB | 50081453 |
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 |
---|---|---|---|---|---|
16330 | Prostacyclin receptor | P43119 | PTGIR | Homo sapiens (Human) | 386 |
16336 | Prostaglandin D2 receptor | Q13258 | PTGDR | Homo sapiens (Human) | 359 |
16331 | Prostaglandin E2 receptor EP1 subtype | P34995 | PTGER1 | Homo sapiens (Human) | 402 |
16333 | Prostaglandin E2 receptor EP2 subtype | P43116 | PTGER2 | Homo sapiens (Human) | 358 |
16334 | Prostaglandin E2 receptor EP3 subtype | P43115 | PTGER3 | Homo sapiens (Human) | 390 |
16337 | Prostaglandin E2 receptor EP4 subtype | P35408 | PTGER4 | Homo sapiens (Human) | 488 |
16335 | Prostaglandin F2-alpha receptor | P43088 | PTGFR | Homo sapiens (Human) | 359 |
16332 | Thromboxane A2 receptor | P21731 | TBXA2R | Homo sapiens (Human) | 343 |
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