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Ligand

NameCHEMBL375288
Molecular formulaC24H20Cl2N4O3
IUPAC namemethyl 4-chloro-2-[4-[(1R)-1-[[4-chloro-3-[(2-cyanoacetyl)amino]pyridin-2-yl]amino]ethyl]phenyl]benzoate
Molecular weight483.349
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP5.4
SynonymsBDBM50157518
5-chloro-4''-{(R)-1-[4-chloro-3-(2-cyano-acetylamino)-pyridin-2-ylamino]-ethyl}-biphenyl-2-carboxylic acid methyl ester
Inchi KeyAFGWMUJUAMFDHR-CQSZACIVSA-N
Inchi IDInChI=1S/C24H20Cl2N4O3/c1-14(29-23-22(20(26)10-12-28-23)30-21(31)9-11-27)15-3-5-16(6-4-15)19-13-17(25)7-8-18(19)24(32)33-2/h3-8,10,12-14H,9H2,1-2H3,(H,28,29)(H,30,31)/t14-/m1/s1
PubChem CID11167607
ChEMBLCHEMBL375288
IUPHARN/A
BindingDB50157518
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4145B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353

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