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Name | CHEMBL153557 |
---|---|
Molecular formula | C32H40N4O6 |
IUPAC name | 4-[[(1R)-2-[[(2R)-3-(1H-indol-3-yl)-2-methyl-2-[[(2S)-2-methylcyclohexyl]oxycarbonylamino]propanoyl]amino]-1-phenylethyl]amino]-4-oxobutanoic acid |
Molecular weight | 576.694 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 5 |
XlogP | 4.1 |
Synonyms | N-{2-[3-(1H-Indol-3-yl)-2-methyl-2-(2-methyl-cyclohexyloxycarbonylamino)-propionylamino]-1-phenyl-ethyl}-succinamic acid BDBM50033596 |
Inchi Key | COPHJFYYOYQDKU-FXXLRVRCSA-N |
Inchi ID | InChI=1S/C32H40N4O6/c1-21-10-6-9-15-27(21)42-31(41)36-32(2,18-23-19-33-25-14-8-7-13-24(23)25)30(40)34-20-26(22-11-4-3-5-12-22)35-28(37)16-17-29(38)39/h3-5,7-8,11-14,19,21,26-27,33H,6,9-10,15-18,20H2,1-2H3,(H,34,40)(H,35,37)(H,36,41)(H,38,39)/t21-,26-,27?,32+/m0/s1 |
PubChem CID | 44368521 |
ChEMBL | CHEMBL153557 |
IUPHAR | N/A |
BindingDB | 50033596 |
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 |
---|---|---|---|---|---|
46856 | Cholecystokinin receptor type A | P30551 | Cckar | Rattus norvegicus (Rat) | 444 |
46857 | Gastrin/cholecystokinin type B receptor | P56481 | Cckbr | Mus musculus (Mouse) | 453 |
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