JNJ-26489112

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Synonyms
Status
Molecule Category Free-form
UNII G1TI012DLT

Structure

InChI Key KXSAIQPPGSSNKX-ZETCQYMHSA-N
Smiles NS(=O)(=O)NC[C@H]1COc2cc(Cl)ccc2O1
InChI
InChI=1S/C9H11ClN2O4S/c10-6-1-2-8-9(3-6)15-5-7(16-8)4-12-17(11,13)14/h1-3,7,12H,4-5H2,(H2,11,13,14)/t7-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H11ClN2O4S
Molecular Weight 278.72
AlogP 0.27
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 90.65
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 17.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Voltage-gated calcium channel
- - - - 37-53
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Cholecystokinin receptor
- - - - 21
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Opioid receptor
- - - - 45
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- - - - 23
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - - 21-45
Mus musculus
- - - - 15-38
Rattus norvegicus
- - - - 37-53

Cross References

Resources Reference
ChEMBL CHEMBL3092995
DrugBank DB15203
FDA SRS G1TI012DLT
PubChem 11616111
SureChEMBL SCHEMBL437342
CONTENTS