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Name | CHEMBL390276 |
---|---|
Molecular formula | C32H32N4O5 |
IUPAC name | 3-[[2-[5-cyclohexyl-1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-1,3,4-benzotriazepin-3-yl]acetyl]amino]benzoic acid |
Molecular weight | 552.631 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 5.4 |
Synonyms | BDBM50411337 SCHEMBL3910925 |
Inchi Key | AZYWHZJBCDCHPW-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C32H32N4O5/c1-21-10-5-6-15-25(21)28(37)19-35-27-17-8-7-16-26(27)30(22-11-3-2-4-12-22)34-36(32(35)41)20-29(38)33-24-14-9-13-23(18-24)31(39)40/h5-10,13-18,22H,2-4,11-12,19-20H2,1H3,(H,33,38)(H,39,40) |
PubChem CID | 16732753 |
ChEMBL | CHEMBL390276 |
IUPHAR | N/A |
BindingDB | 50411337 |
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 |
---|---|---|---|---|---|
18620 | Cholecystokinin receptor type A | P32238 | CCKAR | Homo sapiens (Human) | 428 |
18617 | Gastrin/cholecystokinin type B receptor | P30552 | CCKBR | Canis lupus familiaris (Dog) | 453 |
18618 | Gastrin/cholecystokinin type B receptor | P32239 | CCKBR | Homo sapiens (Human) | 447 |
18619 | Gastrin/cholecystokinin type B receptor | P30553 | Cckbr | Rattus norvegicus (Rat) | 452 |
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