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Ligand

NameCHEMBL313756
Molecular formulaC40H47N5O6S
IUPAC name2-adamantyl N-[1-[[(2S)-2-[3-(benzenesulfonamido)propanoylamino]-2-phenylethyl]amino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl]carbamate
Molecular weight725.905
Hydrogen bond acceptor7
Hydrogen bond donor5
XlogP5.4
SynonymsBDBM50006886
[1-[2-(3-Benzenesulfonylamino-propionylamino)-2-phenyl-ethylcarbamoyl]-2-(1H-indol-3-yl)-1-methyl-ethyl]-carbamic acid adamantan-2-yl ester
Inchi KeyAXEWWYOJDKJHAO-DKDIGGGLSA-N
Inchi IDInChI=1S/C40H47N5O6S/c1-40(23-31-24-41-34-15-9-8-14-33(31)34,45-39(48)51-37-29-19-26-18-27(21-29)22-30(37)20-26)38(47)42-25-35(28-10-4-2-5-11-28)44-36(46)16-17-43-52(49,50)32-12-6-3-7-13-32/h2-15,24,26-27,29-30,35,37,41,43H,16-23,25H2,1H3,(H,42,47)(H,44,46)(H,45,48)/t26?,27?,29?,30?,35-,37?,40?/m1/s1
PubChem CID44320385
ChEMBLN/A
IUPHARN/A
BindingDB50006886
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
16633Cholecystokinin receptor type AP30551CckarRattus norvegicus (Rat)444
16634Gastrin/cholecystokinin type B receptorP56481CckbrMus musculus (Mouse)453

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