All FDA-approved EMA-approved PMDA-approved
Target Card Uniprot Example: P23975

ditiocarb 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |

Stem definition	Drug id	CAS RN
	931	148-18-5

Description:

Molecule	Description
Molfile Inchi Smiles Synonyms: sodium diethyldithiocarbamate ditiocarb sodium ditiocarb thiocarb N,N-Diethyldithiocarbamic acid N,N-diethyldithiocarbamate	A chelating agent that has been used to mobilize toxic metals from the tissues of humans and experimental animals. It is the main metabolite of DISULFIRAM. Molecular weight: 149.27 Formula: C5H11NS2 CLOGP: 0.59 LIPINSKI: 0 HAC: 1 HDO: 0 TPSA: 3.24 ALOGS: -2.90 ROTB: 2

Drug dosage:

None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

Property	Description	Value	Unit	Confidence	Similarity
kinase-safety-class	ACVR2A,ACVR2B,ACVRL1,AKT2,AKT3,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,CHEK1,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GSK3B,ITK,JAK1,JAK2,JAK3,MAP2K6,MAP3K1,MAP3K14,MAP3K21,MAP3K7,MAP4K1,MAPK1,MAPK10,MAPK7,MAPK8,MAPK9,MAPKAPK2,MARK4,MELK,MET,MTOR,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIM1,PIM2,PLK1,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TTK,ULK1	64
kinase-selectivity-class	ACVR2B,AXL,BRAF,CDK4,CDK9,DDR1,EPHB4,GRK2,MAP2K6,MAPK7,STK33,TEK,TTK	13
pfas-class	PFAS structural alert (1 = True, 0 = False)	0

Approvals:

None

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

FDA Adverse Event Reporting System (Geriatric)

MedDRA adverse event term	Likelihood ratio	Likelihood ratio threshold	Patients taking drug having adverse event	Patients taking drug not having adverse event	Patients not taking drug having adverse event	Patients not taking drug not having adverse event
Radiation inflammation	175.96	147.32	24	598	1024	110587653

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

Source	Code	Description
MeSH PA	D000276	Adjuvants, Immunologic
MeSH PA	D000890	Anti-Infective Agents
MeSH PA	D000998	Antiviral Agents
MeSH PA	D002614	Chelating Agents
MeSH PA	D007155	Immunologic Factors
MeSH PA	D064449	Sequestering Agents
CHEBI has role	CHEBI:38161	Chelating agent
CHEBI has role	CHEBI:166831	copper chelator

Drug Use | Suggest Off label Use Form| |View source of the data|

None

🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation level	Dissociation constant	Type (acidic/basic)
pKa1	3.79	acidic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

Target	Class	Pharos	UniProt	Action	Type	Activity value (-log[M])	Mechanism action	Bioact source	MoA source
Carbonic anhydrase 2	Enzyme	P00918	CAH2_HUMAN		Ki	5.51		CHEMBL
Carbonic anhydrase 1	Enzyme	P00915	CAH1_HUMAN		Ki	6.10		CHEMBL
Carbonic anhydrase 4	Enzyme	P22748	CAH4_HUMAN		Ki	5.19		CHEMBL
Carbonic anhydrase 9	Enzyme	Q16790	CAH9_HUMAN		Ki	5.85		CHEMBL
Carbonic anhydrase 12	Enzyme	O43570	CAH12_HUMAN		Ki	5.96		CHEMBL
Cytochrome P450 2E1	Enzyme	P05181	CP2E1_HUMAN		IC50	6.07		CHEMBL
Histone-lysine N-methyltransferase EHMT2	Enzyme	Q96KQ7	EHMT2_HUMAN		IC50	5.04		CHEMBL
Histone-lysine N-methyltransferase EHMT1	Enzyme	Q9H9B1	EHMT1_HUMAN		IC50	4.09		CHEMBL
Gasdermin-D	Membrane other	P57764	GSDMD_HUMAN		IC50	6.40		CHEMBL
Carbonic anhydrase 2, isoform A; LD26647p	Enzyme		Q9VTU8_DROME		Ki	6.18		CHEMBL
Carbonic anhydrase 1; GH09688p	Enzyme		Q9V396_DROME		Ki	5.63		CHEMBL
Carbonic anhydrase 13	Enzyme		CAH13_MOUSE		Ki	4.25		CHEMBL
Gasdermin-D	Membrane other		GSDMD_MOUSE		IC50	6.40		CHEMBL

External reference:

ID	Source
C0012194	UMLSCUI
CHEBI:144353	CHEBI
CHEMBL961	ChEMBL_ID
DB02520	DRUGBANK_ID
CHEMBL107217	ChEMBL_ID
D004050	MESH_DESCRIPTOR_UI
8987	PUBCHEM_CID
99Z2744345	UNII
DCD	PDB_CHEM_ID
5911	INN_ID
147-84-2	SECONDARY_CAS_RN

Pharmaceutical products:

None