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Ligand

NameCHEMBL3114496
Molecular formulaC39H55FN6O3S
IUPAC name2-[2-(4-tert-butylpiperazin-1-yl)-3-fluorophenyl]-3-(3,3-dimethylbutyl)-5-[2-oxo-2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one
Molecular weight706.966
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP5.8
SynonymsSCHEMBL2604126
BDBM50447326
Inchi KeyCWVIRPPISINNPT-UHFFFAOYSA-N
Inchi IDInChI=1S/C39H55FN6O3S/c1-38(2,3)17-21-46-35(48)32(50-36(46)29-11-9-12-30(40)34(29)43-22-24-44(25-23-43)39(4,5)6)26-33(47)42-18-15-28(16-19-42)45-20-14-27-10-7-8-13-31(27)41-37(45)49/h7-13,28,32,36H,14-26H2,1-6H3,(H,41,49)
PubChem CID59554856
ChEMBLCHEMBL3114496
IUPHARN/A
BindingDB50447326
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
52460Calcitonin gene-related peptide type 1 receptorQ16602CALCRLHomo sapiens (Human)461

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