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Name | CHEMBL34101 |
---|---|
Molecular formula | C34H48Cl2N4O6 |
IUPAC name | (4S)-4-[[5-(8-azaspiro[4.5]decan-8-yl)-4-[(3,5-dichlorobenzoyl)amino]-5-oxopentanoyl]amino]-5-[(4,4-dimethylcyclohexyl)amino]-5-oxopentanoic acid |
Molecular weight | 679.68 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 4 |
XlogP | 5.9 |
Synonyms | BDBM50048762 (S)-4-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichloro-benzoylamino)-5-oxo-pentanoylamino]-4-(4,4-dimethyl-cyclohexylcarbamoyl)-butyric acid |
Inchi Key | AUROWYJLELKNKL-QBHOUYDASA-N |
Inchi ID | InChI=1S/C34H48Cl2N4O6/c1-33(2)13-9-25(10-14-33)37-31(45)26(6-8-29(42)43)38-28(41)7-5-27(39-30(44)22-19-23(35)21-24(36)20-22)32(46)40-17-15-34(16-18-40)11-3-4-12-34/h19-21,25-27H,3-18H2,1-2H3,(H,37,45)(H,38,41)(H,39,44)(H,42,43)/t26-,27?/m0/s1 |
PubChem CID | 44280993 |
ChEMBL | CHEMBL34101 |
IUPHAR | N/A |
BindingDB | 50048762 |
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 |
---|---|---|---|---|---|
14928 | Gastrin/cholecystokinin type B receptor | P32239 | CCKBR | Homo sapiens (Human) | 447 |
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