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Ligand

NameCHEMBL3940897
Molecular formulaC23H25F3N6S
IUPAC name(2R,3S)-5-[3-[(4-methyl-5-pyridazin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]-2-[4-(trifluoromethyl)phenyl]-5-azaspiro[2.4]heptane
Molecular weight474.55
Hydrogen bond acceptor9
Hydrogen bond donor0
XlogP3.3
SynonymsBDBM50192327
SCHEMBL17713041
Inchi KeyACKJXZGTUCARLB-KNQAVFIVSA-N
Inchi IDInChI=1S/C23H25F3N6S/c1-31-20(17-7-9-27-28-14-17)29-30-21(31)33-12-2-10-32-11-8-22(15-32)13-19(22)16-3-5-18(6-4-16)23(24,25)26/h3-7,9,14,19H,2,8,10-13,15H2,1H3/t19-,22+/m1/s1
PubChem CID121304596
ChEMBLCHEMBL3940897
IUPHARN/A
BindingDB50192327
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
535957D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
535956D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400

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