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Ligand

NameCHEMBL416651
Molecular formulaC29H31ClN6O3
IUPAC name1-[7-chloro-3-(3,5-dimethylphenyl)-2-oxo-4-[2-[(2S)-piperidin-2-yl]ethoxy]-1H-quinolin-6-yl]-3-pyrazin-2-ylurea
Molecular weight547.056
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP3.6
SynonymsBDBM50090549
1-[7-Chloro-3-(3,5-dimethyl-phenyl)-2-oxo-4-((S)-2-piperidin-2-yl-ethoxy)-1,2-dihydro-quinolin-6-yl]-3-pyrazin-2-yl-urea
Inchi KeyADRCRSPDCZNNQH-FQEVSTJZSA-N
Inchi IDInChI=1S/C29H31ClN6O3/c1-17-11-18(2)13-19(12-17)26-27(39-10-6-20-5-3-4-7-32-20)21-14-24(22(30)15-23(21)34-28(26)37)35-29(38)36-25-16-31-8-9-33-25/h8-9,11-16,20,32H,3-7,10H2,1-2H3,(H,34,37)(H2,33,35,36,38)/t20-/m0/s1
PubChem CID44292950
ChEMBLCHEMBL416651
IUPHARN/A
BindingDB50090549
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
2998Gonadotropin-releasing hormone receptorP30968GNRHRHomo sapiens (Human)328

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