Drug Information

Drug (ID: DG01830) and It's Reported Resistant Information

• Name: Bufalin
• Synonyms: Bufalin; 465-21-4; UNII-U549S98QLW; 3-beta,14-Dihydroxy-5-beta-bufa-20,22-dienolide; 3,14-Dihydroxy-bufa-20,22-dienolide; U549S98QLW; CHEBI:517248; 3beta,14beta-dihydroxy-5beta-bufa-20,22-dienolide; 5-((3S,5R,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2H-pyran-2-one; 5-[(3S,5R,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one; Ch'an su; BUF; NSC 89595; BRN 5141601; (3beta,5beta)-3,14-dihydroxybufa-20,22-dienolide; SCHEMBL165666; CHEMBL399680; Bufa-20,22-dienolide, 3,14-dihydroxy-, (3b,5b)-; DTXSID90873563; AMY40632; Bufalin: Bufa-20,22-dienolide, 3,14-dihydroxy-, (3b,5b)-,; HY-N0877; ZINC4215121; HSCI1_000110; LMST01130001; s7821; AKOS015965454; CS-3694; SMP2_000290; AC-20197; AC-34068; BS-17080; C16922; BRD-K63606607-001-01-8; BRD-K63606607-001-02-6; Q18379323; 5-beta-BUFA-20,22-DIENOLIDE, 3-beta,14-DIHYDROXY-; 5beta-Bufa-20,22-dienolide, 3beta,14-dihydroxy- (8CI); (3beta,5beta,10alpha,17alpha)-3,14-dihydroxybufa-20,22-dienolide; Bufa-20,22-dienolide, 3,14-dihydroxy-, (3-beta,5-beta)- (9CI); Bufa-20,22-dienolide, 3,14-dihydroxy-, (3beta,5beta)- (9CI)
• Drug Resistance Disease(s):
  Disease(s) with Clinically Reported Resistance for This Drug (1 diseases)
  Prostate cancer [ICD-11: 2C82]; [1]
• Target: .; NOUNIPROTAC; [1]
• Formula: 1
• IsoSMILES: C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=COC(=O)C=C5)O)C)O
• InChI: InChI=1S/C24H34O4/c1-22-10-7-17(25)13-16(22)4-5-20-19(22)8-11-23(2)18(9-12-24(20,23)27)15-3-6-21(26)28-14-15/h3,6,14,16-20,25,27H,4-5,7-13H2,1-2H3/t16-,17+,18-,19+,20-,22+,23-,24+/m1/s1
• InChIKey: QEEBRPGZBVVINN-BMPKRDENSA-N
• PubChem CID: 9547215

Type(s) of Resistant Mechanism of This Drug

  EADR: Epigenetic Alteration of DNA, RNA or Protein

Drug Resistance Data Categorized by Their Corresponding Diseases

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

Prostate cancer [ICD-11: 2C82]

Drug Resistance Data Categorized by Their Corresponding Mechanisms

Epigenetic Alteration of DNA, RNA or Protein (EADR)

Key Molecule: HOX transcript antisense RNA (HOTAIR) [1]

• Molecule Alteration: Down-regulation; Interaction
• Resistant Disease: Prostate cancer [ICD-11: 2C82.0]
• Experimental Note: Identified from the Human Clinical Data
• In Vitro Model: DU145 cells; Prostate; Homo sapiens (Human); CVCL_0105
• In Vitro Model: PC-3 cells; Prostate; Homo sapiens (Human); CVCL_0035
• Experiment for Molecule Alteration: In situ hybridization assay; Immunohistochemical assay; Overexpression assay; Microarray assay
• Experiment for Drug Resistance: IC50 assay
• Mechanism Description: Bufalin suppresses the migration and invasion of prostate cancer cells through HOTAIR, the sponge of miR-520b.

References

• Ref 1: A Compound AC1Q3QWB Selectively Disrupts HOTAIR-Mediated Recruitment of PRC2 and Enhances Cancer Therapy of DZNepTheranostics. 2019 Jun 24;9(16):4608-4623. doi: 10.7150/thno.35188. eCollection 2019.