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Ligand

NameCHEMBL433594
Molecular formulaC28H30ClN5O3S
IUPAC name7-chloro-2-oxo-4-[2-[(2S)-piperidin-2-yl]ethoxy]-N-(1,2,5-thiadiazol-3-yl)-3-(3,4,5-trimethylphenyl)-1H-quinoline-6-carboxamide
Molecular weight552.09
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP4.8
Synonyms7-Chloro-2-oxo-4-(2-piperidin-2-yl-ethoxy)-3-((S)-3,4,5-trimethyl-phenyl)-1,2-dihydro-quinoline-6-carboxylic acid [1,2,5]thiadiazol-3-ylamide
BDBM50155361
Inchi KeyBEDCPQWYYPUQGP-IBGZPJMESA-N
Inchi IDInChI=1S/C28H30ClN5O3S/c1-15-10-18(11-16(2)17(15)3)25-26(37-9-7-19-6-4-5-8-30-19)21-12-20(22(29)13-23(21)32-28(25)36)27(35)33-24-14-31-38-34-24/h10-14,19,30H,4-9H2,1-3H3,(H,32,36)(H,33,34,35)/t19-/m0/s1
PubChem CID44395462
ChEMBLCHEMBL433594
IUPHARN/A
BindingDB50155361
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
21457Gonadotropin-releasing hormone receptorP30968GNRHRHomo sapiens (Human)328

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