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Ligand

NameCHEMBL3114468
Molecular formulaC30H31N5O3S
IUPAC name5-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-2-phenyl-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one
Molecular weight541.67
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.7
SynonymsBDBM50447353
SCHEMBL2604027
Inchi KeyAEDPQOMRRIKEBB-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H31N5O3S/c36-27(33-15-12-24(13-16-33)34-20-23-10-4-5-11-25(23)32-30(34)38)17-26-28(37)35(19-21-7-6-14-31-18-21)29(39-26)22-8-2-1-3-9-22/h1-11,14,18,24,26,29H,12-13,15-17,19-20H2,(H,32,38)
PubChem CID59554942
ChEMBLCHEMBL3114468
IUPHARN/A
BindingDB50447353
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
3368Calcitonin gene-related peptide type 1 receptorQ16602CALCRLHomo sapiens (Human)461

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