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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1201073
CHEMBL1201073
Compound Name SUCCIMER
ChEMBL Synonyms SUCCIMER | DMSA | CHEMET | Dimercaptosuccinic Acid | DIM-SA
Max Phase 4 (Approved)
Trade Names Dimercaptosuccinic Acid | CHEMET | DIM-SA | DMSA
Molecular Formula C4H6O4S2

Additional synonyms for CHEMBL1201073 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)[C@H](S)[C@H](S)C(=O)O
Standard InChI InChI=1S/C4H6O4S2/c5-3(6)1(9)2(10)4(7)8/h1-2,9-10H,(H,5,6)(H ...
Download InChI
Standard InChI Key ACTRVOBWPAIOHC-XIXRPRMCSA-N

Sources

  • Orange Book
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1201073

Molecule Features

CHEMBL1201073 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Lead chelating agent Lead FDA

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
AUTISTIC DISORDERD001321EFO:0003758AUTISM1ClinicalTrials

Clinical Data

ClinicalTrials.gov SUCCIMER
The Cochrane Collaboration SUCCIMER

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL1201073. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL3369 Neprilysin Rattus norvegicus 0.999
CHEMBL1944 Neprilysin Homo sapiens 0.998
CHEMBL2625 Angiotensin-converting enzyme Rattus norvegicus 0.997
CHEMBL1808 Angiotensin-converting enzyme Homo sapiens 0.996
CHEMBL4074 Angiotensin-converting enzyme Oryctolagus cuniculus 0.993
CHEMBL3768 Neprilysin Oryctolagus cuniculus 0.988
CHEMBL4791 Endothelin-converting enzyme 1 Homo sapiens 0.957
CHEMBL3736 Angiotensin-converting enzyme 2 Homo sapiens 0.925
CHEMBL3439 Aminopeptidase A Homo sapiens 0.715
CHEMBL2590 Aminopeptidase N Sus scrofa 0.673
CHEMBL3419 Carboxypeptidase B2 isoform A Homo sapiens 0.264



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3369 Neprilysin Rattus norvegicus 0.998
CHEMBL1808 Angiotensin-converting enzyme Homo sapiens 0.996
CHEMBL2625 Angiotensin-converting enzyme Rattus norvegicus 0.995
CHEMBL1944 Neprilysin Homo sapiens 0.995
CHEMBL4074 Angiotensin-converting enzyme Oryctolagus cuniculus 0.990
CHEMBL3768 Neprilysin Oryctolagus cuniculus 0.976
CHEMBL2590 Aminopeptidase N Sus scrofa 0.916
CHEMBL3736 Angiotensin-converting enzyme 2 Homo sapiens 0.892
CHEMBL4791 Endothelin-converting enzyme 1 Homo sapiens 0.884
CHEMBL3439 Aminopeptidase A Homo sapiens 0.873
CHEMBL2088 Carboxypeptidase A1 Homo sapiens 0.750
CHEMBL3419 Carboxypeptidase B2 isoform A Homo sapiens 0.208

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
182.2 181.9708 0.28 3 152.19 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 4 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.74 - 1.05 -3.7 0 10 0.46

Structural Alerts

There are 7 structural alerts for CHEMBL1201073. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ACTRVOBWPAIOHC-XIXRPRMCSA-N
DailyMed succimer
Wikipedia Dimercaptosuccinic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1201073



ChEBI 63623
DrugBank DB00566
DrugCentral 2486
eMolecules 713371
EPA CompTox Dashboard DTXSID1023601
FDA SRS DX1U2629QE
IBM Patent System C774F01CF3354689A180AD9A77A44C59
LINCS LSM-4749
MolPort MolPort-003-666-563
Nikkaji J193.712J
PubChem 2724354
PubChem: Thomson Pharma 16776628
SureChEMBL SCHEMBL14941
ZINC ZINC000003831475

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/ACTRVOBWPAIOHC-XIXRPRMCSA-N spacer
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