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Ligand

NameCHEMBL398003
Molecular formulaC23H31N3O3
IUPAC name3-[[1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]carbamoylamino]benzoic acid
Molecular weight397.519
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP0.8
SynonymsN/A
Inchi KeyAIDODRGOQLQBHG-PXNSSMCTSA-N
Inchi IDInChI=1S/C23H31N3O3/c1-23(2)17-7-6-16(20(23)13-17)14-26-10-8-18(9-11-26)24-22(29)25-19-5-3-4-15(12-19)21(27)28/h3-6,12,17-18,20H,7-11,13-14H2,1-2H3,(H,27,28)(H2,24,25,29)/t17-,20-/m0/s1
PubChem CID44427017
ChEMBLCHEMBL398003
IUPHARN/A
BindingDBN/A
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
6118C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368

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