Details of the Drug

General Information of Drug (ID: DMI12Y8)

Drug Name
Nickel chloride
Synonyms
NICKEL CHLORIDE; Nickel(II) chloride; 7718-54-9; Nickel dichloride; Nickelous chloride; NiCl2; Nickel(2+) chloride; Nickel chloride (NiCl2); dichloronickel; Nickelchloride; Nickel dichloride (nicl2); Nickel(II) chloride (1:2); Nichel(II) chloride; Nickel (II) chloride; Nickel(II) chloride, 98%; Nickel(II) chloride anhydrous; CCRIS 1788; HSDB 860; EINECS 231-743-0; EINECS 253-399-0; NSC 254532; Nickel chloride [Nickel and nickel compounds]; 37211-05-5; dichloro nickel; Nickel(II) chloride, 99.99%, (trace metal basis), anhydrous, po
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 129.6
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 0
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 0
Chemical Identifiers
Formula
Cl2Ni
IUPAC Name
dichloronickel
Canonical SMILES
Cl[Ni]Cl
InChI
InChI=1S/2ClH.Ni/h2*1H;/q;;+2/p-2
InChIKey
QMMRZOWCJAIUJA-UHFFFAOYSA-L
Cross-matching ID
PubChem CID
24385
ChEBI ID
CHEBI:34887
CAS Number
37211-0
TTD ID
D08MKF

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Voltage-gated calcium channel alpha Cav3.1 (CACNA1G) TT729IR CAC1G_HUMAN Blocker [1]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
1,4-alpha-glucan-branching enzyme (GBE1) OTK2N05B GLGB_HUMAN Gene/Protein Processing [2]
26S proteasome non-ATPase regulatory subunit 12 (PSMD12) OTWICA51 PSD12_HUMAN Gene/Protein Processing [3]
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMGCR) OTRT3F3U HMDH_HUMAN Gene/Protein Processing [3]
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3) OT25JBA3 F263_HUMAN Gene/Protein Processing [3]
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 4 (PFKFB4) OTQYEXL2 F264_HUMAN Gene/Protein Processing [4]
72 kDa type IV collagenase (MMP2) OT5NIWA2 MMP2_HUMAN Gene/Protein Processing [5]
A-kinase anchor protein 11 (AKAP11) OT7E2FVD AKA11_HUMAN Gene/Protein Processing [3]
Aconitate hydratase, mitochondrial (ACO2) OTF2UVNV ACON_HUMAN Gene/Protein Processing [6]
Actin, aortic smooth muscle (ACTA2) OTEDLG8E ACTA_HUMAN Gene/Protein Processing [7]
Actin, cytoplasmic 1 (ACTB) OT1MCP2F ACTB_HUMAN Gene/Protein Processing [8]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 T-type calcium channels facilitate insulin secretion by enhancing general excitability in the insulin-secreting beta-cell line, INS-1. Endocrinology. 1997 Sep;138(9):3735-40.
2 Nickel-induced 1,4-alpha-glucan branching enzyme 1 up-regulation via the hypoxic signaling pathway. Toxicol Appl Pharmacol. 2004 May 1;196(3):404-9. doi: 10.1016/j.taap.2004.01.012.
3 The contact allergen nickel triggers a unique inflammatory and proangiogenic gene expression pattern via activation of NF-kappaB and hypoxia-inducible factor-1alpha. J Immunol. 2007 Mar 1;178(5):3198-207.
4 Effects of nickel treatment on H3K4 trimethylation and gene expression. PLoS One. 2011 Mar 24;6(3):e17728. doi: 10.1371/journal.pone.0017728.
5 Nickel promotes the invasive potential of human lung cancer cells via TLR4/MyD88 signaling. Toxicology. 2011 Jul 11;285(1-2):25-30. doi: 10.1016/j.tox.2011.03.016. Epub 2011 Apr 5.
6 Effect of soluble nickel on cellular energy metabolism in A549 cells. Exp Biol Med (Maywood). 2006 Oct;231(9):1474-80. doi: 10.1177/153537020623100905.
7 Reversal of Sp1 transactivation and TGF1/SMAD1 signaling by H(2)S prevent nickel-induced fibroblast activation. Toxicol Appl Pharmacol. 2018 Oct 1;356:25-35. doi: 10.1016/j.taap.2018.07.029. Epub 2018 Jul 26.
8 Effect of metals on -actin and total protein synthesis in cultured human intestinal epithelial cells. J Pharmacol Toxicol Methods. 2011 Jan-Feb;63(1):47-58. doi: 10.1016/j.vascn.2010.04.012. Epub 2010 May 6.