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Ligand

NameCHEMBL3422874
Molecular formulaC20H19N5OS
IUPAC name2-(benzylamino)-6-(5-methyl-1H-pyrazole-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
Molecular weight377.466
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.7
SynonymsBDBM50083627
Inchi KeyONWHHBPKKHKAJJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H19N5OS/c1-13-9-17(24-23-13)20(26)25-8-7-15-16(10-21)19(27-18(15)12-25)22-11-14-5-3-2-4-6-14/h2-6,9,22H,7-8,11-12H2,1H3,(H,23,24)
PubChem CID118735958
ChEMBLCHEMBL3422874
IUPHARN/A
BindingDB50083627
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 18
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4513915-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
4513775-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
451392Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
451383B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391
451384C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374
451388C-C chemokine receptor type 4P51679CCR4Homo sapiens (Human)360
451394C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352
451381C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360
451386C-X-C chemokine receptor type 4P61073CXCR4Homo sapiens (Human)352
451389C-X-C chemokine receptor type 5P32302CXCR5Homo sapiens (Human)372
451385Cannabinoid receptor 1P21554CNR1Homo sapiens (Human)472
451393Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
451387Metabotropic glutamate receptor 1Q13255GRM1Homo sapiens (Human)1194
451379Metabotropic glutamate receptor 2Q14416GRM2Homo sapiens (Human)872
451382Metabotropic glutamate receptor 5P41594GRM5Homo sapiens (Human)1212
451390Muscarinic acetylcholine receptor M1P11229CHRM1Homo sapiens (Human)460
451378Muscarinic acetylcholine receptor M5P08912CHRM5Homo sapiens (Human)532
451380Substance-P receptorP25103TACR1Homo sapiens (Human)407

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