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Name | CHEMBL200490 |
---|---|
Molecular formula | C33H40N6O6S |
IUPAC name | tert-butyl N-[(2R)-1-[[(3R,6S,8aS)-3-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridin-6-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate |
Molecular weight | 648.779 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 5 |
XlogP | 3.3 |
Synonyms | BDBM50177869 (3S,6S,9R,1''S)-3-[Nalpha-(tert-butoxycarbonyl)-D-tryptophyl)amino]-9-[(1''-carbamoyl-2''-phenyl)ethyl]carbamoyl-2-oxo-7-thio-1-azabicyclo[4.3.0]nonane |
Inchi Key | BCTNVHYDCBUXNU-ZEEZOPKCSA-N |
Inchi ID | InChI=1S/C33H40N6O6S/c1-33(2,3)45-32(44)38-25(16-20-17-35-22-12-8-7-11-21(20)22)29(41)36-23-13-14-27-39(31(23)43)26(18-46-27)30(42)37-24(28(34)40)15-19-9-5-4-6-10-19/h4-12,17,23-27,35H,13-16,18H2,1-3H3,(H2,34,40)(H,36,41)(H,37,42)(H,38,44)/t23-,24-,25+,26-,27-/m0/s1 |
PubChem CID | 11679066 |
ChEMBL | CHEMBL200490 |
IUPHAR | N/A |
BindingDB | 50177869 |
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 |
---|---|---|---|---|---|
20507 | Cholecystokinin receptor type A | P30551 | Cckar | Rattus norvegicus (Rat) | 444 |
20508 | Gastrin/cholecystokinin type B receptor | P30553 | Cckbr | Rattus norvegicus (Rat) | 452 |
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