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Name | CHEMBL14557 |
---|---|
Molecular formula | C38H38N4O7 |
IUPAC name | 5-[[(2S)-2-[[6-(1-adamantylmethylcarbamoyl)-1H-indole-5-carbonyl]amino]-3-phenylpropanoyl]amino]benzene-1,3-dicarboxylic acid |
Molecular weight | 662.743 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 6 |
XlogP | 5.5 |
Synonyms | BDBM50213845 D0F5WV SCHEMBL7096084 GTPL908 [3H]JB-93182 [ Show all ] |
Inchi Key | DKYQJTXTKSMTHK-FGLZHOHTSA-N |
Inchi ID | InChI=1S/C38H38N4O7/c43-33(40-20-38-17-22-8-23(18-38)10-24(9-22)19-38)30-16-31-25(6-7-39-31)15-29(30)34(44)42-32(11-21-4-2-1-3-5-21)35(45)41-28-13-26(36(46)47)12-27(14-28)37(48)49/h1-7,12-16,22-24,32,39H,8-11,17-20H2,(H,40,43)(H,41,45)(H,42,44)(H,46,47)(H,48,49)/t22?,23?,24?,32-,38?/m0/s1 |
PubChem CID | 9939572 |
ChEMBL | CHEMBL14557 |
IUPHAR | 908 |
BindingDB | 50213845 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. 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 |
---|---|---|---|---|---|
62725 | Cholecystokinin receptor type A | Q63931 | CCKAR | Cavia porcellus (Guinea pig) | 430 |
62723 | Gastrin/cholecystokinin type B receptor | P30553 | Cckbr | Rattus norvegicus (Rat) | 452 |
62724 | Gastrin/cholecystokinin type B receptor | P56481 | Cckbr | Mus musculus (Mouse) | 453 |
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