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Name | CHEMBL452451 |
---|---|
Molecular formula | C32H32F3N3O8S |
IUPAC name | (2R)-3-[[4-[[4-(cyclohexen-1-yl)-N-[[3-methylsulfonyl-4-(trifluoromethoxy)phenyl]carbamoyl]anilino]methyl]benzoyl]amino]-2-hydroxypropanoic acid |
Molecular weight | 675.676 |
Hydrogen bond acceptor | 11 |
Hydrogen bond donor | 4 |
XlogP | 4.5 |
Synonyms | BDBM50245102 SCHEMBL6288852 (R)-3-{4-[1-(4-Cyclohex-1-enylphenyl)-3-(3-methanesulfonyl-4-trifluoromethoxyphenyl)ureidomethyl]benzoylamino}-2-hydroxypropionic acid |
Inchi Key | MYHQPEVOOWDUDW-AREMUKBSSA-N |
Inchi ID | InChI=1S/C32H32F3N3O8S/c1-47(44,45)28-17-24(13-16-27(28)46-32(33,34)35)37-31(43)38(25-14-11-22(12-15-25)21-5-3-2-4-6-21)19-20-7-9-23(10-8-20)29(40)36-18-26(39)30(41)42/h5,7-17,26,39H,2-4,6,18-19H2,1H3,(H,36,40)(H,37,43)(H,41,42)/t26-/m1/s1 |
PubChem CID | 10211943 |
ChEMBL | CHEMBL452451 |
IUPHAR | N/A |
BindingDB | 50245102 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
217108 | Gastric inhibitory polypeptide receptor | P48546 | GIPR | Homo sapiens (Human) | 466 |
217107 | Glucagon receptor | P47871 | GCGR | Homo sapiens (Human) | 477 |
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