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Ligand

NameCHEMBL2018498
Molecular formulaC35H45N7O3
IUPAC name(2S)-2-(1H-indol-5-ylamino)-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butane-1,4-dione
Molecular weight611.791
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP4.0
SynonymsSCHEMBL13052656
BDBM50380827
Inchi KeyANADBRAXSNZKAI-YTTGMZPUSA-N
Inchi IDInChI=1S/C35H45N7O3/c43-33(40-18-13-29(14-19-40)42-24-26-6-2-3-7-31(26)38-35(42)45)23-32(37-27-8-9-30-25(22-27)10-15-36-30)34(44)41-20-11-28(12-21-41)39-16-4-1-5-17-39/h2-3,6-10,15,22,28-29,32,36-37H,1,4-5,11-14,16-21,23-24H2,(H,38,45)/t32-/m0/s1
PubChem CID58864479
ChEMBLCHEMBL2018498
IUPHARN/A
BindingDB50380827
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
9390Calcitonin gene-related peptide type 1 receptorQ16602CALCRLHomo sapiens (Human)461

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