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Ligand

NameCHEMBL3114474
Molecular formulaC34H46N6O3S
IUPAC name3-(3,3-dimethylbutyl)-5-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-2-(2-piperazin-1-ylphenyl)-1,3-thiazolidin-4-one
Molecular weight618.841
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.8
SynonymsSCHEMBL2603910
BDBM50447347
Inchi KeyAJSPOSFNOAHUJQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C34H46N6O3S/c1-34(2,3)14-19-39-31(42)29(44-32(39)26-9-5-7-11-28(26)37-20-15-35-16-21-37)22-30(41)38-17-12-25(13-18-38)40-23-24-8-4-6-10-27(24)36-33(40)43/h4-11,25,29,32,35H,12-23H2,1-3H3,(H,36,43)
PubChem CID59555157
ChEMBLCHEMBL3114474
IUPHARN/A
BindingDB50447347
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
7205Calcitonin gene-related peptide type 1 receptorQ16602CALCRLHomo sapiens (Human)461

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