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Name | CHEMBL26167 |
---|---|
Molecular formula | C41H43N5O7 |
IUPAC name | 5-[[3-[6-(1-adamantylmethylcarbamoyl)-3H-benzimidazole-5-carbonyl]-1,2,4,5,6,7-hexahydro-3-benzazonine-2-carbonyl]amino]benzene-1,3-dicarboxylic acid |
Molecular weight | 717.823 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 5 |
XlogP | 5.8 |
Synonyms | BDBM50421387 |
Inchi Key | BUENLNVBYHVBJC-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C41H43N5O7/c47-36(42-21-41-18-23-9-24(19-41)11-25(10-23)20-41)31-16-33-34(44-22-43-33)17-32(31)38(49)46-8-4-3-6-26-5-1-2-7-27(26)15-35(46)37(48)45-30-13-28(39(50)51)12-29(14-30)40(52)53/h1-2,5,7,12-14,16-17,22-25,35H,3-4,6,8-11,15,18-21H2,(H,42,47)(H,43,44)(H,45,48)(H,50,51)(H,52,53) |
PubChem CID | 9987406 |
ChEMBL | CHEMBL26167 |
IUPHAR | N/A |
BindingDB | 50421387 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | 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 |
---|---|---|---|---|---|
32960 | Gastrin/cholecystokinin type B receptor | P56481 | Cckbr | Mus musculus (Mouse) | 453 |
32961 | Gastrin/cholecystokinin type B receptor | P30553 | Cckbr | Rattus norvegicus (Rat) | 452 |
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