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Ligand

NameCHEMBL333378
Molecular formulaC44H50N6O8
IUPAC name(3R)-4-[[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2R)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-4-oxobutanoic acid
Molecular weight790.918
Hydrogen bond acceptor8
Hydrogen bond donor6
XlogP5.4
SynonymsN/A
Inchi KeyFUODANWUNHGJDX-NIINDMPLSA-N
Inchi IDInChI=1S/C44H50N6O8/c1-44(2,3)58-43(57)49-35(24-31-26-45-33-18-12-11-17-32(31)33)40(54)46-34(23-28-19-20-29-15-9-10-16-30(29)21-28)39(53)47-36(25-38(51)52)41(55)48-37(42(56)50(4)5)22-27-13-7-6-8-14-27/h6-21,26,34-37,45H,22-25H2,1-5H3,(H,46,54)(H,47,53)(H,48,55)(H,49,57)(H,51,52)/t34-,35+,36-,37?/m1/s1
PubChem CID44344742
ChEMBLCHEMBL333378
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
87606Cholecystokinin receptor type AQ63931CCKARCavia porcellus (Guinea pig)430
87605Gastrin/cholecystokinin type B receptorP56481CckbrMus musculus (Mouse)453

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