Details of the Drug

General Information of Drug (ID: DM85WID)

• Drug Name: Crobenetine
• Synonyms: CROBENETINE; CROBENETINE); BIII-890-CL; Crobenetine; Crobenetine hydrochloride; (2R,6S)-3-[2(S)-Benzyloxypropyl]-6,11,11-trimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-10-ol; (2R,6S)-3-[2(S)-Benzyloxypropyl]-6,11,11-trimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-10-ol hydrochloride

Indication

Disease Entry	ICD 11	Status	REF
Pain	MG30-MG3Z	Phase 2	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 379.5
  Logarithm of the Partition Coefficient (xlogp); 5.4
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C25H33NO2
  IUPAC Name: (1S,9R)-1,13,13-trimethyl-10-[(2S)-2-phenylmethoxypropyl]-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-6-ol
  Canonical SMILES: C[C@@H](CN1CC[C@]2(C3=C(C[C@@H]1C2(C)C)C(=CC=C3)O)C)OCC4=CC=CC=C4
  InChI: InChI=1S/C25H33NO2/c1-18(28-17-19-9-6-5-7-10-19)16-26-14-13-25(4)21-11-8-12-22(27)20(21)15-23(26)24(25,2)3/h5-12,18,23,27H,13-17H2,1-4H3/t18-,23+,25-/m0/s1
  InChIKey: VCCBCXVFGHTDQN-UODBTFMRSA-N
• Cross-matching ID:
  PubChem CID: 9886143
  ChEBI ID: CHEMBL3039733
  CAS Number: 19-25-6
  TTD ID: D0K4MU
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Sodium channel unspecific (NaC)	TTRK8B9	NOUNIPROTAC	Antagonist	[2]

References

• [1] ClinicalTrials.gov (NCT02251197) Safety and Tolerability of BIII 890 in Patients With Acute Ischemic Stroke. U.S. National Institutes of Health.
• [2] Analgesic activity of a novel use-dependent sodium channel blocker, crobenetine, in mono-arthritic rats. Br J Pharmacol. 2001 Dec;134(8):1742-8.