DIMERCAPROL

Search structure
Trade Names:
Synonyms:
Bal
Status: Approved (1946)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: V03AB09
UNII: 0CPP32S55X

Structure
InChI Key WQABCVAJNWAXTE-UHFFFAOYSA-N
Smile OCC(S)CS
InChI
InChI=1S/C3H8OS2/c4-1-3(6)2-5/h3-6H,1-2H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H8OS2
Molecular Weight 124.23
AlogP 0.21
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 20.23
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 6.0

Pharmacology

Action Mechanism of Action Reference
CHELATING AGENT Heavy metals chelating agent DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group I Nuclear hormone receptor subfamily 1 group I member 2
5000-50100 - - - -

Cross References

Resources Reference
CAS NUMBER 59-52-9
ChEBI 64198
ChEMBL CHEMBL1597
DrugBank DB06782
DrugCentral 3150
EPA CompTox DTXSID5040461
FDA SRS 0CPP32S55X
Human Metabolome Database HMDB0015677
KEGG C02924
PharmGKB PA165958406
PubChem 3080
SureChEMBL SCHEMBL15969
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