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Ligand

NameCHEMBL2036754
Molecular formulaC21H30Cl2N4O
IUPAC name4-[[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]methyl]-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
Molecular weight425.398
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.7
SynonymsBDBM50385471
SCHEMBL1943590
Inchi KeyAYGDAGGEXLYLEB-KRWDZBQOSA-N
Inchi IDInChI=1S/C21H30Cl2N4O/c22-19-6-5-18(12-20(19)23)24-21(28)27-10-8-25(9-11-27)14-17-2-1-7-26(15-17)13-16-3-4-16/h5-6,12,16-17H,1-4,7-11,13-15H2,(H,24,28)/t17-/m0/s1
PubChem CID11582651
ChEMBLCHEMBL2036754
IUPHARN/A
BindingDB50385471
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
17418C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374

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