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Name | CHEMBL293490 |
---|---|
Molecular formula | C33H39N5O6S |
IUPAC name | 3-[[(3R,5R)-1-[2-(tert-butylamino)-2-oxoethyl]-8-methyl-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-3-yl]carbamoylamino]-N-ethylsulfonylbenzamide |
Molecular weight | 633.764 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 4 |
XlogP | 3.8 |
Synonyms | N-tert-Butyl-2-{(3R,5R)-3-[3-(3-ethanesulfonylaminocarbonyl-phenyl)-ureido]-8-methyl-2-oxo-5-phenyl-2,3,4,5-tetrahydro-benzo[b]azepin-1-yl}-acetamide BDBM50285005 |
Inchi Key | ARYXAMNDWNZMBO-KAYWLYCHSA-N |
Inchi ID | InChI=1S/C33H39N5O6S/c1-6-45(43,44)37-30(40)23-13-10-14-24(18-23)34-32(42)35-27-19-26(22-11-8-7-9-12-22)25-16-15-21(2)17-28(25)38(31(27)41)20-29(39)36-33(3,4)5/h7-18,26-27H,6,19-20H2,1-5H3,(H,36,39)(H,37,40)(H2,34,35,42)/t26-,27-/m1/s1 |
PubChem CID | 44301037 |
ChEMBL | CHEMBL293490 |
IUPHAR | N/A |
BindingDB | 50285005 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
12912 | Cholecystokinin receptor type A | Q63931 | CCKAR | Cavia porcellus (Guinea pig) | 430 |
12911 | Gastrin/cholecystokinin type B receptor | P32239 | CCKBR | Homo sapiens (Human) | 447 |
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