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Ligand

NameSCHEMBL17056394
Molecular formulaC18H19ClN2
IUPAC name3-[(1R)-1-(4-chloro-N-ethyl-3-methylanilino)ethyl]benzonitrile
Molecular weight298.814
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP5.0
SynonymsUS9718771, 5-1
BDBM264708
Inchi KeyAFBXBOSXYKOOOP-CQSZACIVSA-N
Inchi IDInChI=1S/C18H19ClN2/c1-4-21(17-8-9-18(19)13(2)10-17)14(3)16-7-5-6-15(11-16)12-20/h5-11,14H,4H2,1-3H3/t14-/m1/s1
PubChem CID118349300
ChEMBLN/A
IUPHARN/A
BindingDB264708
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
557399Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382

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