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Ligand

NameCHEMBL118224
Molecular formulaC41H45N5O7
IUPAC name(3R)-3-[[(2R)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-4-oxo-4-(2-phenylethylamino)butanoic acid
Molecular weight719.839
Hydrogen bond acceptor7
Hydrogen bond donor6
XlogP5.8
SynonymsN/A
Inchi KeyDXAYQBBNXHICOM-GVBYMILNSA-N
Inchi IDInChI=1S/C41H45N5O7/c1-41(2,3)53-40(52)46-34(23-30-25-43-32-16-10-9-15-31(30)32)39(51)44-33(22-27-17-18-28-13-7-8-14-29(28)21-27)38(50)45-35(24-36(47)48)37(49)42-20-19-26-11-5-4-6-12-26/h4-18,21,25,33-35,43H,19-20,22-24H2,1-3H3,(H,42,49)(H,44,51)(H,45,50)(H,46,52)(H,47,48)/t33-,34+,35-/m1/s1
PubChem CID44344961
ChEMBLCHEMBL118224
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
71124Cholecystokinin receptor type AQ63931CCKARCavia porcellus (Guinea pig)430
71123Gastrin/cholecystokinin type B receptorP56481CckbrMus musculus (Mouse)453

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