Dimercaprol

Summary

Dimercaprol (CHEMBL1597) is an approved small-molecule chelator (ATC V03AB09).

At a glance

• Status: Approved (max clinical phase 4)
• Modality: Small molecule
• ATC class: V03AB09
• Clinical trials: 5
• Chemistry: 124.23 Da · C3H8OS2

Identifiers

Drug identity and classification

Field	Value
ChEMBL ID	CHEMBL1597
Name	Dimercaprol
Type	Small molecule
Max phase	4
FDA approved	yes
PubChem CID	3080
ChEBI	CHEBI:64198
ATC	V03AB09
Molecular formula	C3H8OS2
Molecular weight	124.23
InChIKey	WQABCVAJNWAXTE-UHFFFAOYSA-N

SMILES: C(C(CS)S)O

IUPAC name: 2,3-bis(sulfanyl)propan-1-ol

ChEBI definition: A dithiol that is propane-1,2-dithiol in which one of the methyl hydrogens is replaced by a hydroxy group. a chelating agent originally developed during World War II as an experimental antidote against the arsenic-based poison gas Lewisite, it has been used clinically since 1949 for the treatment of poisoning by arsenic, mercury and gold. It can also be used for treatment of poisoning by antimony, bismuth and possibly thallium, and (with sodium calcium edetate) in cases of acute leaad poisoning. Administration is by (painful) intramuscular injection of a suspension of dimercaprol in peanut oil, typically every 4 hours for 2-10 days depending on the toxicity. In the past, dimercaprol was also used for the treatment of Wilson’s disease, a severely debilitating genetic disorder in which the body tends to retain copper, with resultant liver and brain injury.

Pharmacological roles (ChEBI): chelator.

Also known as: Antoxol, Anti-lewisite, B.a.l., Bal, Dicaptol, Dimercaprol, Dimercaprolum, Dimersol, NSC-39515, NSC-4646, Panobal, Sulfactin

Parent form; salt/anhydrous children: CHEMBL1968682

Patent coverage: 4,169 distinct patent families (12,613 SureChEMBL compound mentions), from 1 matched compound structure(s). Mentions count patents naming the compound (not distinct inventions), so promiscuous / reference molecules inflate the mention figure — families are the dedup metric.

Targets

Targets

Broader ChEMBL bioactivity targets: 10 (assay-derived). Sample: Tyrosyl-DNA phosphodiesterase 1, Nuclear receptor ROR-gamma, Prelamin-A/C, 4’-phosphopantetheinyl transferase ffp, Cytochrome P450 1A2, Nuclear receptor subfamily 1 group I member 2, Aldehyde dehydrogenase 1A1, 3-hydroxyacyl-CoA dehydrogenase type-2, Metallo-beta-lactamase type 2, Huntingtin.

Bioactivity

ChEMBL activities: 7 potent at pChembl ≥ 5 of 12 total. Top 30 by potency (10 = 0.1 nM, 6 = 1 µM):

Target	pChembl	Type	Value	Unit	Activity ID
ALDH1A1	7	Potency	100	nM	CHEMBL_ACT_4132538
HSD17B10	6	Potency	1000	nM	CHEMBL_ACT_4821263
C7C422	5.89	IC50	1300	nM	CHEMBL_ACT_29305804
Q9F4F7	5.65	Potency	2239	nM	CHEMBL_ACT_4359407
HSD17B10	5.5	Potency	3162	nM	CHEMBL_ACT_3684791
CYP1A2	5.4	AC50	3981	nM	CHEMBL_ACT_6020812
NR1I2	5.3	EC50	5000	nM	CHEMBL_ACT_15465477

Target pathways

No target-pathway data for this drug (no mapped target genes).

Indications & clinical

Indications

0 indications (0 at ChEMBL trial phase 4).

Clinical trials

Total trials: 5.

Phase distribution

Phase	Trials
Not specified	4
PHASE3	1

Top trials by phase / activity

NCT	Phase	Status	Title
NCT00872612	PHASE3	COMPLETED	Trial for the Diagnosis of Sarcoidosis
NCT03455959	Not specified	ACTIVE_NOT_RECRUITING	Lung-Resident Memory Th2 Cells in Asthma
NCT02549248	Not specified	COMPLETED	Nanoparticles Analysis in Lung and Bronchi During Various Pulmonary Interstitial Diseases and Relationships With Their Aetiology
NCT05631132	Not specified	UNKNOWN	May Noninvasive Mechanical Ventilation (NIV) and/or Continuous Positive Airway Pressure (CPAP) Increase the Bronchoalveolar Lavage (BAL) Salvage in Patients With Pulmonary Diseases?
NCT05671328	Not specified	COMPLETED	Incidence of Invasive Pulmonary Aspergillosis in Ventilator-associated Pneumonia

Clinical evidence (CIViC)

No CIViC predictive evidence (expected for non-precision-medicine drugs).

Pharmacology

Pharmacogenomics

PharmGKB dosing guidelines (1) — CPIC / DPWG genotype-guided dosing for this drug (drug × pharmacogene):

Guideline	Source	Gene(s)	Dosing	Recommendation
Annotation of CPIC Guideline for aminosalicylic acid, chloramphenicol,	CPIC	G6PD

PharmGKB also curates 1 clinical and 1 variant annotation(s) for this drug (gene-keyed; see PharmGKB).

Related molecules

Related molecules

No competitor molecules sharing a primary target (ChEMBL phase ≥2 or PubChem drug-class).