Details of the Drug

General Information of Drug (ID: DMPAJ41)

• Drug Name: BIIB-021
• Synonyms: CNF-2024; CNF-3647; EC-129; EC-137; EC-138; EC-141; EC-144; EC-146; EC-147; EC-151; EC-78; EC-89; EC-145, Conforma; EC-82, Conforma; Hsp90 inhibitor (cancer), Biogen Idec; Synthetic Hsp90 inhibitors (cancer), Conforma; Hsp90 inhibitors (synthetic, cancer), Conforma

Indication

Disease Entry	ICD 11	Status	REF
Breast cancer	2C60-2C65	Phase 2	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 318.76
  Logarithm of the Partition Coefficient (xlogp); 1.9
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C14H15ClN6O
  IUPAC Name: 6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]purin-2-amine
  Canonical SMILES: CC1=CN=C(C(=C1OC)C)CN2C=NC3=C2N=C(N=C3Cl)N
  InChI: InChI=1S/C14H15ClN6O/c1-7-4-17-9(8(2)11(7)22-3)5-21-6-18-10-12(15)19-14(16)20-13(10)21/h4,6H,5H2,1-3H3,(H2,16,19,20)
  InChIKey: QULDDKSCVCJTPV-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 16736529
  ChEBI ID: CHEBI:90687
  CAS Number: 848695-25-0
  DrugBank ID: DB12359
  TTD ID: D05HWN

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Heat shock protein 90 alpha (HSP90A)	TT78R5H	HS90A_HUMAN	Inhibitor	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Breast cancer
• ICD Disease Classification: 2C60-2C65

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Heat shock protein 90 alpha (HSP90A)	DTT	HSP90AA1	3.96E-01	0.18	0.48

References

• [1] ClinicalTrials.gov (NCT00618319) An Open-Label, 18FDG-PET Pharmacodynamic Assessment of the Effect of BIIB021 in Subjects With Gastrointestinal Stromal Tumors (GIST). U.S. National Institutes of Health.
• [2] BIIB021, an orally available, fully synthetic small-molecule inhibitor of the heat shock protein Hsp90. Mol Cancer Ther. 2009 Apr;8(4):921-9.