Details of the Drug

General Information of Drug (ID: DMIXK7Y)

• Drug Name: Pyridoindole derivative 2
• Synonyms: PMID25656651-Compound-22b
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 270.3
  Topological Polar Surface Area (xlogp); 4.9
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C19H14N2
  IUPAC Name: 3-[(E)-2-phenylethenyl]-9H-pyrido[2,3-b]indole
  Canonical SMILES: C1=CC=C(C=C1)/C=C/C2=CC3=C(NC4=CC=CC=C43)N=C2
  InChI: InChI=1S/C19H14N2/c1-2-6-14(7-3-1)10-11-15-12-17-16-8-4-5-9-18(16)21-19(17)20-13-15/h1-13H,(H,20,21)/b11-10+
  InChIKey: UNSLEGIUCMXDGG-ZHACJKMWSA-N
• Cross-matching ID:
  PubChem CID: 58514479
  TTD ID: D0AP4V

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Fusion protein Bcr-Abl (Bcr-Abl)	TTS7G69	BCR_HUMAN-ABL1_HUMAN	Inhibitor	[1]

References

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• [4] Danusertib, an aurora kinase inhibitor.Expert Opin Investig Drugs.2012 Mar;21(3):383-93.
• [5] ABL001, a Potent Allosteric Inhibitor of BCR-ABL, Prevents Emergence of Resistant Disease When Administered in Combination with Nilotinib in an in Vivo Murine Model of Chronic Myeloid Leukemia, NorthBuilding, 2014, 120-125.
• [6] Asciminib in Chronic Myeloid Leukemia after ABL Kinase Inhibitor Failure. N Engl J Med. 2019 Dec 12;381(24):2315-2326.
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• [9] Preclinical development of HQP1351, a multikinase inhibitor targeting a broad spectrum of mutant KIT kinases, for the treatment of imatinib-resistant gastrointestinal stromal tumors. Cell Biosci. 2019 Oct 26;9:88.
• [10] NPB001-05 inhibits Bcr-Abl kinase leading to apoptosis of imatinib-resistant cells. Front Biosci (Elite Ed). 2011 Jun 1;3:1273-88.