Details of the Drug

General Information of Drug (ID: DML6O4N)

Drug Name
Dimethylformamide
Synonyms
N,N-DIMETHYLFORMAMIDE; Dimethylformamide; 68-12-2; N,N-Dimethylmethanamide; Dimethyl formamide; N-Formyldimethylamine; Formamide, N,N-dimethyl-; DMF; Dimethylformamid; Dimetilformamide; Dwumetyloformamid; DMFA; Formyldimethylamine; N,N-Dimethyl formamide; Dimethylforamide; Dimetylformamidu; DMF (amide); NCI-C60913; N,N-Dimethylformamid; n,n,dimethylformamide; Dimethylamid kyseliny mravenci; Caswell No. 366A; Dimetylformamidu [Czech]; Dimethylformamid [German]; Dimetilformamide [Italian]; Dwumetyloformamid [Polish]
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 73.09
Logarithm of the Partition Coefficient (xlogp) -1
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C3H7NO
IUPAC Name
N,N-dimethylformamide
Canonical SMILES
CN(C)C=O
InChI
InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3
InChIKey
ZMXDDKWLCZADIW-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
6228
ChEBI ID
CHEBI:17741
CAS Number
68-12-2
DrugBank ID
DB01844
TTD ID
D0E1KX
INTEDE ID
DR1120

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Angiotensinogenase renin (REN) TTB2MXP RENI_HUMAN Inhibitor [1]
Pancreatic elastase 1 (CELA1) TT3NKIB CELA1_HUMAN Inhibitor [1]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 2E1 (CYP2E1)
Main DME 		DEVDYN7 CP2E1_HUMAN Substrate [2]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Apoptosis regulator BAX (BAX) OTAW0V4V BAX_HUMAN Gene/Protein Processing [3]
Bcl-2-like protein 1 (BCL2L1) OTRC5K9O B2CL1_HUMAN Gene/Protein Processing [3]
Caspase-3 (CASP3) OTIJRBE7 CASP3_HUMAN Gene/Protein Processing [3]
Caspase-9 (CASP9) OTD4RFFG CASP9_HUMAN Gene/Protein Processing [3]
Cellular tumor antigen p53 (TP53) OTIE1VH3 P53_HUMAN Gene/Protein Processing [3]
Cytochrome P450 2E1 (CYP2E1) OTHQ17JG CP2E1_HUMAN Regulation of Drug Effects [4]
DNA repair protein RAD50 (RAD50) OTYMU9G1 RAD50_HUMAN Gene/Protein Processing [5]
DNA repair protein RAD51 homolog 1 (RAD51) OTNVWGC1 RAD51_HUMAN Gene/Protein Processing [5]
DNA repair protein XRCC2 OTJB2PV4 XRCC2_HUMAN Gene/Protein Processing [5]
DNA repair protein XRCC3 OTK717YY XRCC3_HUMAN Gene/Protein Processing [5]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Pancreatic elastase 1 (CELA1) DTT CELA1 8.56E-02 0.06 0.25
Pancreatic elastase 1 (CELA1) DTT CELA1 3.82E-02 0.19 0.7
Cytochrome P450 2E1 (CYP2E1) DME CYP2E1 7.08E-01 3.02E-02 1.71E-01
Cytochrome P450 2E1 (CYP2E1) DME CYP2E1 9.24E-01 -8.81E-03 -4.67E-02
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Liver disease associated with occupational exposure to the solvent dimethylformamide. Ann Intern Med. 1988 May;108(5):680-6.
2 Association between CYP2E1 and GOT2 gene polymorphisms and susceptibility and low-dose N,N-dimethylformamide occupational exposure-induced liver injury. Int Arch Occup Environ Health. 2019 Oct;92(7):967-975.
3 Study on the potential way of hepatic cytotoxicity of N,N-dimethylformamide. J Biochem Mol Toxicol. 2018 Sep;32(9):e22190.
4 The essential role of CYP2E1 in metabolism and hepatotoxicity of N,N-dimethylformamide using a novel Cyp2e1 knockout mouse model and a population study. Arch Toxicol. 2019 Nov;93(11):3169-3181. doi: 10.1007/s00204-019-02567-7. Epub 2019 Sep 9.
5 Oxidative stress-related DNA damage and homologous recombination repairing induced by N,N-dimethylformamide. J Appl Toxicol. 2016 Jul;36(7):936-45. doi: 10.1002/jat.3226. Epub 2015 Sep 21.