Structure

InChI Key ACTRVOBWPAIOHC-XIXRPRMCSA-N
Smile O=C(O)[C@H](S)[C@H](S)C(=O)O
InChI
InChI=1S/C4H6O4S2/c5-3(6)1(9)2(10)4(7)8/h1-2,9-10H,(H,5,6)(H,7,8)/t1-,2+

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H6O4S2
Molecular Weight 182.22
AlogP -0.25
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 3.0
Polar Surface Area 74.6
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 10.0

Pharmacology

Action Mechanism of Action Reference
CHELATING AGENT Lead chelating agent FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Unclassified protein
- - - - 69-100

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Autistic Disorder 2 D001321 ClinicalTrials
Asperger Syndrome 2 D020817 ClinicalTrials
Myelodysplastic Syndromes 1 D009190 ClinicalTrials
Blast Crisis 1 D001752 ClinicalTrials
Hepatolenticular Degeneration 0 D006527 ClinicalTrials

Related Entries

MCS

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
22.22
Musculoskeletal and connective tissue disorders
12.35
Skin and subcutaneous tissue disorders
11.11
Gastrointestinal disorders
10.49
Nervous system disorders
9.88
Injury, poisoning and procedural complications
9.26
Investigations
7.41
Vascular disorders
4.32
Cardiac disorders
3.09
Reproductive system and breast disorders
2.47
Respiratory, thoracic and mediastinal disorders
2.47

Cross References

Resources Reference
CAS NUMBER 304-55-2
ChEBI 63623
ChEMBL CHEMBL1201073
DrugBank DB00566
DrugCentral 2486
EPA CompTox DTXSID1023601
FDA SRS DX1U2629QE
PubChem 2724354
SureChEMBL SCHEMBL14941
ZINC ZINC000003831475