Details of the Drug

General Information of Drug (ID: DMHZJEA)

• Drug Name: US8937193-compound-7
• Synonyms: CHEMBL1269072
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 642.6
  Logarithm of the Partition Coefficient (xlogp); 4.8
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 4
  Hydrogen Bond Acceptor Count (hbondacc); 10
• Chemical Identifiers:
  Formula: C38H26O10
  IUPAC Name: 3-methyl-5-(2-phenylacetyl)-2-[1,4,6,7-tetrahydroxy-3-methyl-5-(2-phenylacetyl)naphthalen-2-yl]naphthalene-1,4,6,7-tetrone
  Canonical SMILES: CC1=C(C(=O)C2=CC(=O)C(=O)C(=C2C1=O)C(=O)CC3=CC=CC=C3)C4=C(C5=CC(=C(C(=C5C(=C4C)O)C(=O)CC6=CC=CC=C6)O)O)O
  InChI: InChI=1S/C38H26O10/c1-17-27(35(45)21-15-25(41)37(47)31(29(21)33(17)43)23(39)13-19-9-5-3-6-10-19)28-18(2)34(44)30-22(36(28)46)16-26(42)38(48)32(30)24(40)14-20-11-7-4-8-12-20/h3-12,15-16,41,43,45,47H,13-14H2,1-2H3
  InChIKey: SAXRAWJDCMFHQD-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 136002683
  TTD ID: D0B1UL

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Bcl-2-related protein A1 (BCL2A1)	TTGT9C7	B2LA1_HUMAN	Inhibitor	[1]

References

• [1] Apogossypolone derivatives as anticancer agents. US8937193.