GSI-136

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Synonyms
Status
Molecule Category Free-form
UNII 51JV4753AD
EPA CompTox DTXSID80196152

Structure

InChI Key PYZFRRVBPNGCBX-SECBINFHSA-N
Smiles CCC(CC)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)s1
InChI
InChI=1S/C11H18ClNO3S2/c1-3-8(4-2)9(7-14)13-18(15,16)11-6-5-10(12)17-11/h5-6,8-9,13-14H,3-4,7H2,1-2H3/t9-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H18ClNO3S2
Molecular Weight 311.86
AlogP 2.48
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 66.4
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 18.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Mus musculus
- - - - 25-25

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL480558
DrugBank DB12819
FDA SRS 51JV4753AD
PubChem 11358855
SureChEMBL SCHEMBL1168789
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