Details of the Drug

General Information of Drug (ID: DM25BNZ)

• Drug Name: PMID27998201-Compound-24

Indication

Disease Entry	ICD 11	Status	REF
Glioma	2A00.0	Patented	[1]
Meningioma tumour	2A01	Patented	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 272.5
  Logarithm of the Partition Coefficient (xlogp); 6
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 0
• Chemical Identifiers:
  Formula: C20H32
  IUPAC Name: (4bS)-4b,8,8-trimethyl-2-propan-2-yl-1,4,5,6,7,8a,9,10-octahydrophenanthrene
  Canonical SMILES: CC(C)C1=CCC2=C(C1)CCC3[C@@]2(CCCC3(C)C)C
  InChI: InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,14,18H,6,8-13H2,1-5H3/t18?,20-/m1/s1
  InChIKey: BGVUIJDZTQIJIO-ROPPNANJSA-N
• Cross-matching ID:
  PubChem CID: 6431125
  TTD ID: D0WO4T
• Repurposed Drugs (RPD): Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cathepsin B (CTSB)	TTF2LRI	CATB_HUMAN	Inhibitor	[1]

References

• [1] Cathepsin B and L inhibitors: a patent review (2010 - present).Expert Opin Ther Pat. 2017 Jun;27(6):643-656.