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Ligand

NameCHEMBL3915132
Molecular formulaC26H35N5O2
IUPAC nameN-[3-[1-[4-(cyclohexylcarbamoyl)piperidin-1-yl]ethyl]phenyl]-2-methylpyrimidine-4-carboxamide
Molecular weight449.599
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.6
SynonymsBDBM243768
SCHEMBL17270263
US9428456, 1.197
Inchi KeyABTMEKLDDFJOTC-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H35N5O2/c1-18(31-15-12-20(13-16-31)25(32)29-22-8-4-3-5-9-22)21-7-6-10-23(17-21)30-26(33)24-11-14-27-19(2)28-24/h6-7,10-11,14,17-18,20,22H,3-5,8-9,12-13,15-16H2,1-2H3,(H,29,32)(H,30,33)
PubChem CID118521955
ChEMBLCHEMBL3915132
IUPHARN/A
BindingDB243768
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
535946Atypical chemokine receptor 3P25106ACKR3Homo sapiens (Human)362

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