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Ligand

NameCHEMBL3128178
Molecular formulaC24H26N4O2S
IUPAC name(4R)-N-[4-[[(2S,5R)-5-[(R)-hydroxy(pyridin-3-yl)methyl]pyrrolidin-2-yl]methyl]phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
Molecular weight434.558
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP2.4
SynonymsBDBM50448787
N-[4-[[(2S)-5alpha-[(R)-Hydroxy(3-pyridinyl)methyl]pyrrolidine-2alpha-yl]methyl]phenyl]-5,6-dihydro-4H-cyclopentathiazole-4alpha-carboxamide
Inchi KeyOYURTPRHVJSKRC-DZCCDHAISA-N
Inchi IDInChI=1S/C24H26N4O2S/c29-23(16-2-1-11-25-13-16)20-9-7-18(27-20)12-15-3-5-17(6-4-15)28-24(30)19-8-10-21-22(19)26-14-31-21/h1-6,11,13-14,18-20,23,27,29H,7-10,12H2,(H,28,30)/t18-,19+,20+,23+/m0/s1
PubChem CID76322043
ChEMBLCHEMBL3128178
IUPHARN/A
BindingDB50448787
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: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
253593Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
253596Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
253591Beta-3 adrenergic receptorO02662ADRB3Canis lupus familiaris (Dog)405
253592Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408
253594Beta-3 adrenergic receptorP26255Adrb3Rattus norvegicus (Rat)400
253595Beta-3 adrenergic receptorQ28524ADRB3Macaca mulatta (Rhesus macaque)418

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