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Ligand

NameCHEMBL3951108
Molecular formulaC26H35N5O2
IUPAC nameN-[3-[1-[4-(cyclohexylcarbamoyl)piperidin-1-yl]ethyl]phenyl]-5-methylpyrazine-2-carboxamide
Molecular weight449.599
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.2
SynonymsBDBM243663
SCHEMBL17270168
US9428456, 1.185
Inchi KeyAFPRTCLJDCXSLL-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H35N5O2/c1-18-16-28-24(17-27-18)26(33)30-23-10-6-7-21(15-23)19(2)31-13-11-20(12-14-31)25(32)29-22-8-4-3-5-9-22/h6-7,10,15-17,19-20,22H,3-5,8-9,11-14H2,1-2H3,(H,29,32)(H,30,33)
PubChem CID118521876
ChEMBLCHEMBL3951108
IUPHARN/A
BindingDB243663
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
536039Atypical chemokine receptor 3P25106ACKR3Homo sapiens (Human)362

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