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Ligand

NameCHEMBL555403
Molecular formulaC33H32Cl2N4O5
IUPAC name4-[(E)-3-[[2-[2,4-dichloro-3-[(4-ethoxy-2-methylquinolin-8-yl)oxymethyl]-N-methylanilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide
Molecular weight635.542
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP5.7
SynonymsCHEMBL1195824
BDBM50146893
4-{(E)-2-[({[2,4-Dichloro-3-(4-ethoxy-2-methyl-quinolin-8-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N-methyl-benzamide; hydrochloride
SCHEMBL8364495
Inchi KeyCCSPRTPOCFHQQR-LFIBNONCSA-N
Inchi IDInChI=1S/C33H32Cl2N4O5/c1-5-43-28-17-20(2)38-32-23(28)7-6-8-27(32)44-19-24-25(34)14-15-26(31(24)35)39(4)30(41)18-37-29(40)16-11-21-9-12-22(13-10-21)33(42)36-3/h6-17H,5,18-19H2,1-4H3,(H,36,42)(H,37,40)/b16-11+
PubChem CID11250929
ChEMBLCHEMBL1195824
IUPHARN/A
BindingDB50146893
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
38934B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391

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