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Ligand

NameCHEMBL232750
Molecular formulaC21H17Cl2F4N3O4
IUPAC namemethyl 2,4-dichloro-6-[5-fluoro-6-[(1R)-1-[[1-[(2,2,2-trifluoroacetyl)amino]cyclopropanecarbonyl]amino]ethyl]pyridin-3-yl]benzoate
Molecular weight522.278
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP4.0
SynonymsSCHEMBL5354696
AIWPMGMGPHDOPW-SECBINFHSA-N
BDBM50212101
methyl - 2,4dichloro-6-(5-fluoro-6-{(1R)-1-[({1-[(trifluoroacetyl)amino]cyclopropyl}carbonyl)amino]ethyl}pyridin-3-yl)benzoate
methyl 2,4-dichloro-6-(5-fluoro-6-((R)-1-(1-(2,2,2-trifluoroacetamido)cyclopropanecarboxamido)ethyl)pyridin-3-yl)benzoate
[ Show all ]
Inchi KeyAIWPMGMGPHDOPW-SECBINFHSA-N
Inchi IDInChI=1S/C21H17Cl2F4N3O4/c1-9(29-18(32)20(3-4-20)30-19(33)21(25,26)27)16-14(24)5-10(8-28-16)12-6-11(22)7-13(23)15(12)17(31)34-2/h5-9H,3-4H2,1-2H3,(H,29,32)(H,30,33)/t9-/m1/s1
PubChem CID44432220
ChEMBLCHEMBL232750
IUPHARN/A
BindingDB50212101
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
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GLASS IDNameUniProtGeneSpeciesLength
6599B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353

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