Details of the Drug

General Information of Drug (ID: DME81IY)

Drug Name

Succimer

Synonyms

Succimer; meso-2,3-Dimercaptosuccinic acid; 304-55-2; DMSA; (2R,3S)-rel-2,3-Dimercaptosuccinic acid; meso-Dimercaptosuccinic acid; Chemet; Dim-sa; Succimerum; Succimero; Dimercaptosuccinic acid; Succimerum [INN-Latin]; Succimero [INN-Spanish]; (R*,S*)-2,3-Dimercaptobutanedioic acid; Butanedioic acid, 2,3-dimercapto-, (2R,3S)-rel-; UNII-DX1U2629QE; Succimer [USAN:INN:BAN]; HSDB 6783; EINECS 206-155-2; Ro 1-7977; BRN 1725150; DX1U2629QE; CHEBI:63623; Butanedioic acid, 2,3-dimercapto-, (R*,S*)-; meso-2,3-Dimercaptobernsteinsaeure

Indication

Disease Entry	ICD 11	Status	REF
Metal intoxication	NE60	Approved	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

182.2

Logarithm of the Partition Coefficient (xlogp)

0.1

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

4

Hydrogen Bond Acceptor Count (hbondacc)

6

ADMET Property

Absorption: The drug is rapidly absorbed []
Half-life: The concentration or amount of drug in body reduced by one-half in 48 hours [2]

Chemical Identifiers

Formula: C4H6O4S2
IUPAC Name: (2S,3R)-2,3-bis(sulfanyl)butanedioic acid
Canonical SMILES: [C@@H]([C@@H](C(=O)O)S)(C(=O)O)S
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+
InChIKey: ACTRVOBWPAIOHC-XIXRPRMCSA-N

Cross-matching ID

PubChem CID: 2724354
ChEBI ID: CHEBI:63623
CAS Number: 304-55-2
DrugBank ID: DB00566
TTD ID: D01GYK
VARIDT ID: DR01256
ACDINA ID: D00640

Molecular Interaction Atlas of This Drug

Drug Transporter (DTP)

DTP Name	DTP ID	UniProt ID	MOA	REF
Multidrug resistance-associated protein 2 (ABCC2)	DTFI42L	MRP2_HUMAN	Substrate	[3]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
ATP-binding cassette sub-family C member 2 (ABCC2)	OTJSIGV5	MRP2_HUMAN	Regulation of Drug Effects	[3]
Cytochrome P450 1B1 (CYP1B1)	OTYXFLSD	CP1B1_HUMAN	Gene/Protein Processing	[4]
Short transient receptor potential channel 5 (TRPC5)	OTWQFP8F	TRPC5_HUMAN	Gene/Protein Processing	[5]

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Molecular Interaction Atlas (MIA)

MIA Detail

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Drug Inactive Ingredient(s) (DIG) and Formulation(s) of This Drug

DIG

DIG Name	DIG ID	PubChem CID	Functional Classification
Eisenoxyd	E00585	56841934	Colorant
Saccharose	E00091	5988	Binding agent; Coating agent; Cryoprotectant; Diluent; Flavoring agent; Suspending agent; Viscosity-controlling agent
Titanium dioxide	E00322	26042	Coating agent; Colorant; Opacifying agent
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Pharmaceutical Formulation

Formulation Name	Drug Dosage	Dosage Form	Route
Succimer 100 mg capsule	100 mg	Oral Capsule	Oral

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References

1	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2	Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
3	MRP2 involvement in renal proximal tubular elimination of methylmercury mediated by DMPS or DMSA. Toxicol Appl Pharmacol. 2009 Feb 15;235(1):10-7.
4	Association of CYP1A1 and CYP1B1 inhibition in in vitro assays with drug-induced liver injury. J Toxicol Sci. 2021;46(4):167-176. doi: 10.2131/jts.46.167.
5	Activation of TRPC cationic channels by mercurial compounds confers the cytotoxicity of mercury exposure. Toxicol Sci. 2012 Jan;125(1):56-68. doi: 10.1093/toxsci/kfr268. Epub 2011 Oct 9.