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Ligand

NameCHEMBL158547
Molecular formulaC34H39N3O5
IUPAC namemethyl (1S,2S)-1-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-2-phenylcyclopropane-1-carboxylate
Molecular weight569.702
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP5.6
SynonymsBDBM50281616
(1S,2S)-1-[(R)-2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propionylamino]-2-phenyl-cyclopropanecarboxylic acid methyl ester
Inchi KeyDPVZHFIPHSKDON-NWDQILKVSA-N
Inchi IDInChI=1S/C34H39N3O5/c1-33(17-25-19-35-28-11-7-6-10-26(25)28,37-32(40)42-29-23-13-20-12-21(15-23)16-24(29)14-20)30(38)36-34(31(39)41-2)18-27(34)22-8-4-3-5-9-22/h3-11,19-21,23-24,27,29,35H,12-18H2,1-2H3,(H,36,38)(H,37,40)/t20?,21?,23?,24?,27-,29?,33+,34-/m0/s1
PubChem CID10816869
ChEMBLCHEMBL158547
IUPHARN/A
BindingDB50281616
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis 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
66000Cholecystokinin receptor type AP30551CckarRattus norvegicus (Rat)444
65999Gastrin/cholecystokinin type B receptorP56481CckbrMus musculus (Mouse)453

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