Details of the Drug

General Information of Drug (ID: DM5ZAS6)

Drug Name
Pyrrolidine dithiocarbamate
Synonyms
Pyrrolidine dithiocarbamate; Pyrrolidine-1-carbodithioic acid; Pyrrolidine dithiocarbamic acid; Pyrrolidinedithiocarbamate; 1-Pyrrolidinecarbodithioic acid; 25769-03-3; PDTC; apdc; Tetramethylenedithiocarbamic acid; Pyrrolidine-N-carbodithioic acid; Ammonium pyrrolidine dithiocarbamate; 1-Pyrrolidinecarbodithioic acid, ammonium salt; CHEBI:78782; Ammonium 1-pyrrolidinecarbodithioate; C5H9NS2; 5108-96-3; NSC298194; Pyrrolidine-N-dithiocarbamic acid ammonium salt; ammonium tetramethylene dithiocarbamate; NCIOpen2_000025
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) 147.3
Logarithm of the Partition Coefficient (xlogp) 1.5
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C5H9NS2
IUPAC Name
pyrrolidine-1-carbodithioic acid
Canonical SMILES
C1CCN(C1)C(=S)S
InChI
InChI=1S/C5H9NS2/c7-5(8)6-3-1-2-4-6/h1-4H2,(H,7,8)
InChIKey
VSWDORGPIHIGNW-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
65351
ChEBI ID
CHEMBL399491
CAS Number
25769-03-3
TTD ID
D0B0IJ
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Nuclear factor NF-kappa-B (NFKB) TTSXVID NFKB1_HUMAN ; NFKB2_HUMAN ; TF65_HUMAN ; RELB_HUMAN ; REL_HUMAN Inhibitor [1]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Baculoviral IAP repeat-containing protein 5 (BIRC5) OTILXZYL BIRC5_HUMAN Gene/Protein Processing [2]
Ceruloplasmin (CP) OTM8JE4Y CERU_HUMAN Gene/Protein Processing [3]
Cleavage and polyadenylation specificity factor subunit 1 (CPSF1) OTAU1KOM CPSF1_HUMAN Gene/Protein Processing [4]
Contactin-associated protein 1 (CNTNAP1) OT5Y03EU CNTP1_HUMAN Gene/Protein Processing [4]
Copper-transporting ATPase 1 (ATP7A) OTMR3GXP ATP7A_HUMAN Gene/Protein Processing [5]
DnaJ homolog subfamily B member 1 (DNAJB1) OTCOSEVH DNJB1_HUMAN Gene/Protein Processing [4]
Early growth response protein 3 (EGR3) OTGPJIRA EGR3_HUMAN Gene/Protein Processing [4]
Heat shock cognate 71 kDa protein (HSPA8) OTJI2RCI HSP7C_HUMAN Gene/Protein Processing [4]
Klotho (KL) OTD4VWU6 KLOT_HUMAN Gene/Protein Processing [6]
Metallothionein-1B (MT1B) OTUA4FFH MT1B_HUMAN Gene/Protein Processing [4]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Simulated ischemia induces renal tubular cell apoptosis through a nuclear factor-kappaB dependent mechanism. J Urol. 2002 Jul;168(1):248-52.
2 APE1/Ref-1 redox-specific inhibition decreases survivin protein levels and induces cell cycle arrest in prostate cancer cells. Oncotarget. 2017 Dec 13;9(13):10962-10977. doi: 10.18632/oncotarget.23493. eCollection 2018 Feb 16.
3 Regulation of ceruloplasmin in human hepatic cells by redox active copper: identification of a novel AP-1 site in the ceruloplasmin gene. Biochem J. 2007 Feb 15;402(1):135-41. doi: 10.1042/BJ20060963.
4 Effects of a redox-active agent on lymphocyte activation and early gene expression patterns. Free Radic Biol Med. 2004 Nov 15;37(10):1550-63.
5 Cytotoxic effects of pyrrolidine dithiocarbamate in small-cell lung cancer cells, alone and in combination with cisplatin. Int J Oncol. 2014 Oct;45(4):1749-59. doi: 10.3892/ijo.2014.2564. Epub 2014 Jul 28.
6 Indoxyl sulfate downregulates renal expression of Klotho through production of ROS and activation of nuclear factor-?B. Am J Nephrol. 2011;33(4):319-24. doi: 10.1159/000324885. Epub 2011 Mar 9.