Details of the Drug

General Information of Drug (ID: DMQSA2V)

• Drug Name: Valbenazine Tosylate
• Synonyms: Valbenazine ditosylate; UNII-5SML1T733B; 5SML1T733B; Valbenazine tosylate [USAN]; Valbenazine tosylate (USAN); 1639208-54-0; NBI-98854 ditosylate

Indication

Disease Entry	ICD 11	Status	REF
Tardive dyskinesia	8A02.10	Approved	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight; 763
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 10
  Hydrogen Bond Donor Count; 3
  Hydrogen Bond Acceptor Count; 12
• Chemical Identifiers:
  Formula: C38H54N2O10S2
  IUPAC Name: [(2R,3R,11bR)-9,10-dimethoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl] (2S)-2-amino-3-methylbutanoate;4-methylbenzenesulfonic acid
  Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)C[C@@H]1CN2CCC3=CC(=C(C=C3[C@H]2C[C@H]1OC(=O)[C@H](C(C)C)N)OC)OC
  InChI: InChI=1S/C24H38N2O4.2C7H8O3S/c1-14(2)9-17-13-26-8-7-16-10-21(28-5)22(29-6)11-18(16)19(26)12-20(17)30-24(27)23(25)15(3)4;2*1-6-2-4-7(5-3-6)11(8,9)10/h10-11,14-15,17,19-20,23H,7-9,12-13,25H2,1-6H3;2*2-5H,1H3,(H,8,9,10)/t17-,19-,20-,23+;;/m1../s1
  InChIKey: BXGKAGLZHGYAMW-TZYFFPFWSA-N
• Cross-matching ID:
  PubChem CID: 92042922
  CAS Number: 1639208-54-0
  TTD ID: D0JJ7S
  VARIDT ID: DR01128

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Synaptic vesicle amine transporter (SLC18A2)	TTNZRI3	VMAT2_HUMAN	Modulator	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Tardive dyskinesia
• ICD Disease Classification: 8A02.10

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Synaptic vesicle amine transporter (SLC18A2)	DTT	SLC18A2	2.69E-02	-0.04	-0.11

References

• [1] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2018
• [2] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.