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Name | GI-181771X |
---|---|
Molecular formula | C34H31N5O6 |
IUPAC name | 3-[[(3S)-2,4-dioxo-1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]-5-phenyl-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid |
Molecular weight | 605.651 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 3 |
XlogP | 4.3 |
Synonyms | 782482-04-6 GI 181771 UNII-6YF0SHR37T (S)-3-(3-(1-(2-(isopropyl(phenyl)amino)-2-oxoethyl)-2,4-dioxo-5-phenyl-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl)ureido)benzoic acid CHEMBL1269257 [ Show all ] |
Inchi Key | CABBMMXFOOZVMS-PMERELPUSA-N |
Inchi ID | InChI=1S/C34H31N5O6/c1-22(2)38(25-14-5-3-6-15-25)29(40)21-37-27-18-9-10-19-28(27)39(26-16-7-4-8-17-26)32(42)30(31(37)41)36-34(45)35-24-13-11-12-23(20-24)33(43)44/h3-20,22,30H,21H2,1-2H3,(H,43,44)(H2,35,36,45)/t30-/m0/s1 |
PubChem CID | 51353551 |
ChEMBL | CHEMBL1269257 |
IUPHAR | N/A |
BindingDB | 50329178 |
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 |
---|---|---|---|---|---|
37012 | Cholecystokinin receptor type A | P30551 | Cckar | Rattus norvegicus (Rat) | 444 |
37014 | Cholecystokinin receptor type A | P32238 | CCKAR | Homo sapiens (Human) | 428 |
37013 | Gastrin/cholecystokinin type B receptor | P32239 | CCKBR | Homo sapiens (Human) | 447 |
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