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Ligand

NameCHEMBL404280
Molecular formulaC25H23Cl2F3N4O5
IUPAC nameN-[1-[[(1R)-1-[5-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]-3-fluoropyridin-2-yl]ethyl]carbamoyl]cyclopropyl]-3-ethoxy-1,2-oxazole-5-carboxamide
Molecular weight587.377
Hydrogen bond acceptor10
Hydrogen bond donor2
XlogP5.0
SynonymsBDBM50371652
Inchi KeyCBNAQLDBUNJJLZ-GFCCVEGCSA-N
Inchi IDInChI=1S/C25H23Cl2F3N4O5/c1-3-37-20-9-18(39-34-20)23(35)33-25(4-5-25)24(36)32-12(2)21-17(28)6-13(10-31-21)15-7-14(26)8-16(27)22(15)38-11-19(29)30/h6-10,12,19H,3-5,11H2,1-2H3,(H,32,36)(H,33,35)/t12-/m1/s1
PubChem CID11444668
ChEMBLCHEMBL404280
IUPHARN/A
BindingDB50371652
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
38018B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353

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