Drug Information

Drug (ID: DG01491) and It's Reported Resistant Information

• Name: NSC319726
• Synonyms: NSC319726; 71555-25-4; NSC 319726; CID 5351307; N'-(1-(Pyridin-2-yl)ethylidene)azetidine-1-carbothiohydrazide; N-[(E)-1-pyridin-2-ylethylideneamino]azetidine-1-carbothioamide; (E)-N'-(1-(pyridin-2-yl)ethylidene)azetidine-1-carbothiohydrazide; NSC-319726; MLS002703052; AZETIDINE CARBOTHIOIC ACID, [1-(2-PYRIDINYL)ETHYLIDENE]HYDRAZIDE; CHEMBL1976486; SCHEMBL17975335; Azetidinecarbothioic acid, [1-(2-pyridinyl)ethylidene] hydrazide; EX-A2113; WCA55525; 2597AH; CCG-35689; s7149; ZINC17122727; AKOS024458479; CS-3542; AC-32867; AS-56104; HY-18634; LS-13960; A899911; BRD-K99170882-001-01-9; Azetidine-1-carbothioic acid(1-pyridin-2-yl-ethylidene)hydrazide
• Drug Resistance Disease(s):
  Disease(s) with Resistance Information Discovered by Cell Line Test for This Drug (1 diseases)
  Breast cancer [ICD-11: 2C60]; [1]
• Formula: 2
• IsoSMILES: C/C(=N\\NC(=S)N1CCC1)/C2=CC=CC=N2
• InChI: InChI=1S/C11H14N4S/c1-9(10-5-2-3-6-12-10)13-14-11(16)15-7-4-8-15/h2-3,5-6H,4,7-8H2,1H3,(H,14,16)/b13-9+
• InChIKey: XDHBUMNIQRLHGO-UKTHLTGXSA-N
• PubChem CID: 5351307

Type(s) of Resistant Mechanism of This Drug

  ADTT: Aberration of the Drug's Therapeutic Target

Drug Resistance Data Categorized by Their Corresponding Diseases

ICD-02: Benign/in-situ/malignant neoplasm

Lung cancer [ICD-11: 2C25]

Drug Sensitivity Data Categorized by Their Corresponding Mechanisms

Aberration of the Drug's Therapeutic Target (ADTT)

Key Molecule: Cellular tumor antigen p53 (TP53) [1]

• Sensitive Disease: Lung adenocarcinoma [ICD-11: 2C25.0]
• Molecule Alteration: Missense mutation; p.R175L (c.524G>T)
• Experimental Note: Revealed Based on the Cell Line Data
• In Vitro Model: (MEF) (10)3 cells; N.A.; Mus musculus (Mouse); N.A.
• Experiment for Molecule Alteration: Western blot analysis
• Experiment for Drug Resistance: MTS assay
• Mechanism Description: The missense mutation p.R175L (c.524G>T) in gene TP53 cause the sensitivity of NSC319726 by aberration of the drug's therapeutic target

Breast cancer [ICD-11: 2C60]

Drug Resistance Data Categorized by Their Corresponding Mechanisms

Aberration of the Drug's Therapeutic Target (ADTT)

Key Molecule: Cellular tumor antigen p53 (TP53) [1]

• Resistant Disease: Breast adenocarcinoma [ICD-11: 2C60.1]
• Molecule Alteration: Missense mutation; p.R273W (c.817_819delCGTinsTGG)
• Experimental Note: Revealed Based on the Cell Line Data
• In Vitro Model: (MEF) (10)3 cells; N.A.; Mus musculus (Mouse); N.A.
• Experiment for Molecule Alteration: Western blot analysis
• Experiment for Drug Resistance: MTS assay
• Mechanism Description: The missense mutation p.R273W (c.817_819delCGTinsTGG) in gene TP53 cause the resistance of NSC319726 by aberration of the drug's therapeutic target

Drug Sensitivity Data Categorized by Their Corresponding Mechanisms

Aberration of the Drug's Therapeutic Target (ADTT)

Key Molecule: Cellular tumor antigen p53 (TP53) [1]

• Sensitive Disease: Breast adenocarcinoma [ICD-11: 2C60.1]
• Molecule Alteration: Missense mutation; p.R175H (c.524G>A)
• Wild Type Structure: Method: X-ray diffraction; Resolution: 2.37 Å; PDB: 6VR1
• Mutant Type Structure: Method: X-ray diffraction; Resolution: 2.38 Å; PDB: 6VR5

RMSD: 0.18; TM score: 0.89418; Amino acid change: R175H

• Experimental Note: Revealed Based on the Cell Line Data
• In Vitro Model: (MEF) (10)3 cells; N.A.; Mus musculus (Mouse); N.A.
• Experiment for Molecule Alteration: Western blot analysis
• Experiment for Drug Resistance: MTS assay
• Mechanism Description: The missense mutation p.R175H (c.524G>A) in gene TP53 cause the sensitivity of NSC319726 by aberration of the drug's therapeutic target

Ovarian cancer [ICD-11: 2C73]

Drug Sensitivity Data Categorized by Their Corresponding Mechanisms

Aberration of the Drug's Therapeutic Target (ADTT)

Key Molecule: Cellular tumor antigen p53 (TP53) [1]

• Sensitive Disease: Ovarian cancer [ICD-11: 2C73.0]
• Molecule Alteration: Missense mutation; p.R175H (c.524G>A)
• Wild Type Structure: Method: X-ray diffraction; Resolution: 2.37 Å; PDB: 6VR1
• Mutant Type Structure: Method: X-ray diffraction; Resolution: 2.38 Å; PDB: 6VR5

RMSD: 0.18; TM score: 0.89418; Amino acid change: R175H

• Experimental Note: Revealed Based on the Cell Line Data
• In Vitro Model: (MEF) (10)3 cells; N.A.; Mus musculus (Mouse); N.A.
• Experiment for Molecule Alteration: Western blot analysis
• Experiment for Drug Resistance: MTS assay
• Mechanism Description: The missense mutation p.R175H (c.524G>A) in gene TP53 cause the sensitivity of NSC319726 by aberration of the drug's therapeutic target

References

• Ref 1: Allele-specific p53 mutant reactivationCancer Cell. 2012 May 15;21(5):614-625. doi: 10.1016/j.ccr.2012.03.042.