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Ligand

NameCHEMBL3288289
Molecular formulaC40H49N9O4S
IUPAC nameN-[(2R)-1-[[(2S)-6-amino-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)hexan-2-yl]amino]-3-(1-benzothiophen-2-yl)-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
Molecular weight751.951
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP3.2
SynonymsBDBM50017370
Inchi KeyABEOUDUTXXUZON-OIDHKYIRSA-N
Inchi IDInChI=1S/C40H49N9O4S/c41-16-6-5-10-34(38(51)47-23-21-46(22-24-47)30-12-17-42-18-13-30)43-37(50)35(26-32-25-28-7-2-4-11-36(28)54-32)45-39(52)48-19-14-31(15-20-48)49-27-29-8-1-3-9-33(29)44-40(49)53/h1-4,7-9,11-13,17-18,25,31,34-35H,5-6,10,14-16,19-24,26-27,41H2,(H,43,50)(H,44,53)(H,45,52)/t34-,35+/m0/s1
PubChem CID86298539
ChEMBLCHEMBL3288289
IUPHARN/A
BindingDB50017370
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
774Calcitonin gene-related peptide type 1 receptorQ16602CALCRLHomo sapiens (Human)461

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