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Ligand

NameCHEMBL2018357
Molecular formulaC33H50N6O4
IUPAC name(2S)-2-[(4-hydroxycyclohexyl)amino]-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butane-1,4-dione
Molecular weight594.801
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP2.4
SynonymsBDBM50380837
SCHEMBL13052679
Inchi KeyAYLBMSKJSZBJAD-HMNPYRHBSA-N
Inchi IDInChI=1S/C33H50N6O4/c40-28-10-8-25(9-11-28)34-30(32(42)38-20-12-26(13-21-38)36-16-4-1-5-17-36)22-31(41)37-18-14-27(15-19-37)39-23-24-6-2-3-7-29(24)35-33(39)43/h2-3,6-7,25-28,30,34,40H,1,4-5,8-23H2,(H,35,43)/t25?,28?,30-/m0/s1
PubChem CID58864520
ChEMBLCHEMBL2018357
IUPHARN/A
BindingDB50380837
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
17549Calcitonin gene-related peptide type 1 receptorQ16602CALCRLHomo sapiens (Human)461

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