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Name | CHEMBL449327 |
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Molecular formula | C54H52N4O16S2 |
IUPAC name | 2,4-bis[3-methoxy-4-(thiophene-2-carbonyloxy)phenyl]-1,3-bis[[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]cyclobutane-1,3-dicarboxylic acid |
Molecular weight | 1077.14 |
Hydrogen bond acceptor | 18 |
Hydrogen bond donor | 6 |
XlogP | 8.3 |
Synonyms | CHEMBL2158414 SCHEMBL12216463 CHEMBL2158412 1,3-bis(4-(tert-butoxycarbonyl)benzamido)-2,4-bis(3-methoxy-4-(thiophene-2-carbonyloxy)phenyl)cyclobutane-1,3-dicarboxylic acid BDBM50260246 [ Show all ] |
Inchi Key | JSLFGFBQFKCNSQ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C54H52N4O16S2/c1-51(2,3)73-49(67)55-33-19-13-29(14-20-33)43(59)57-53(47(63)64)41(31-17-23-35(37(27-31)69-7)71-45(61)39-11-9-25-75-39)54(48(65)66,58-44(60)30-15-21-34(22-16-30)56-50(68)74-52(4,5)6)42(53)32-18-24-36(38(28-32)70-8)72-46(62)40-12-10-26-76-40/h9-28,41-42H,1-8H3,(H,55,67)(H,56,68)(H,57,59)(H,58,60)(H,63,64)(H,65,66) |
PubChem CID | 16186241 |
ChEMBL | CHEMBL449327 |
IUPHAR | N/A |
BindingDB | 50260246 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. 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 |
---|---|---|---|---|---|
158863 | Glucagon-like peptide 1 receptor | P32301 | Glp1r | Rattus norvegicus (Rat) | 463 |
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