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Ligand

NameCHEMBL2367719
Molecular formulaC42H61N5O11
IUPAC name4-[[(1R)-2-[[(2R)-3-(1H-indol-3-yl)-2-methyl-2-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxycarbonylamino]propanoyl]amino]-1-phenylethyl]amino]-4-oxobutanoic acid;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
Molecular weight811.974
Hydrogen bond acceptor12
Hydrogen bond donor11
XlogPNone
SynonymsN/A
Inchi KeyCWJXTOIDFOBOKQ-MSTNRKCISA-N
Inchi IDInChI=1S/C35H44N4O6.C7H17NO5/c1-33(2)24-16-17-34(33,3)28(18-24)45-32(44)39-35(4,19-23-20-36-26-13-9-8-12-25(23)26)31(43)37-21-27(22-10-6-5-7-11-22)38-29(40)14-15-30(41)42;1-8-2-4(10)6(12)7(13)5(11)3-9/h5-13,20,24,27-28,36H,14-19,21H2,1-4H3,(H,37,43)(H,38,40)(H,39,44)(H,41,42);4-13H,2-3H2,1H3/t24-,27-,28+,34-,35+;4-,5+,6+,7+/m00/s1
PubChem CID73349871
ChEMBLCHEMBL2367719
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
52151Cholecystokinin receptor type AP30551CckarRattus norvegicus (Rat)444
52150Gastrin/cholecystokinin type B receptorP30553CckbrRattus norvegicus (Rat)452

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