Details of the Drug

General Information of Drug (ID: DMQOCD8)

• Drug Name: RUBOXISTAURIN HYDROCHLORIDE
• Synonyms: LY-333531.HCl; Ruboxistaurin hydrochloride; 9(S)-(Dimethylaminomethyl)-5,6,7,9,10,11,12,17,18,19,20,21-dodecahydro-5,21:12,17-dimethenodibenzo[e,k]pyrrolo[3,4-h][1,4,13]oxadiazacyclohexadecine-18,20-dione hydrochloride

Indication

Disease Entry	ICD 11	Status	REF
Lymphoma	2A80-2A86	Phase 3	[1]

• #Ro5 Violations (Lipinski): 1:
  Molecular Weight; 505
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 2
  Hydrogen Bond Donor Count; 2
  Hydrogen Bond Acceptor Count; 4
• Chemical Identifiers:
  Formula: C28H29ClN4O3
  IUPAC Name: (18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-triazahexacyclo[19.6.1.17,14.02,6.08,13.022,27]nonacosa-1(28),2(6),7(29),8,10,12,22,24,26-nonaene-3,5-dione;hydrochloride
  Canonical SMILES: CN(C)C[C@@H]1CCN2C=C(C3=CC=CC=C32)C4=C(C5=CN(CCO1)C6=CC=CC=C65)C(=O)NC4=O.Cl
  InChI: InChI=1S/C28H28N4O3.ClH/c1-30(2)15-18-11-12-31-16-21(19-7-3-5-9-23(19)31)25-26(28(34)29-27(25)33)22-17-32(13-14-35-18)24-10-6-4-8-20(22)24;/h3-10,16-18H,11-15H2,1-2H3,(H,29,33,34);1H/t18-;/m0./s1
  InChIKey: NYQIEYDJYFVLPO-FERBBOLQSA-N
• Cross-matching ID:
  PubChem CID: 9870785
  CAS Number: 169939-93-9
  TTD ID: D0MV4W
• Drug ADMET Endpoint Profile (DAE)NEW: Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Protein kinase C beta (PRKCB)	TTYPXQF	KPCB_HUMAN	Modulator	[1]

References

• [1] Ruboxistaurin: LY 333531. Drugs R D. 2007;8(3):193-9.