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Ligand

NameCHEMBL133539
Molecular formulaC31H41N5O3
IUPAC nametert-butyl N-[1-[[(4aS,5R)-2-benzyl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidin-5-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
Molecular weight531.701
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP4.8
Synonyms[1-(2-Benzyl-octahydro-4a(S)-pyrido[1,2-c]pyrimidin-5(R)-ylcarbamoyl)-2-(1H-indol-3-yl)-ethyl]-carbamic acid tert-butyl ester
BDBM50106592
Inchi KeyCNIFEKSWYJQXLP-UNQNHFTRSA-N
Inchi IDInChI=1S/C31H41N5O3/c1-31(2,3)39-30(38)34-27(18-23-19-32-25-13-8-7-12-24(23)25)29(37)33-26-14-9-16-36-21-35(17-15-28(26)36)20-22-10-5-4-6-11-22/h4-8,10-13,19,26-28,32H,9,14-18,20-21H2,1-3H3,(H,33,37)(H,34,38)/t26-,27?,28+/m1/s1
PubChem CID44355151
ChEMBLN/A
IUPHARN/A
BindingDB50106592
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
46048Cholecystokinin receptor type AP30551CckarRattus norvegicus (Rat)444
46049Gastrin/cholecystokinin type B receptorP30553CckbrRattus norvegicus (Rat)452

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