Details of the Drug

General Information of Drug (ID: DMO0R76)

• Drug Name: Cyclandelate
• Synonyms: cyclandelate; 456-59-7; Cyclolyt; Cyclomandol; Cyclospasmol; Spasmocyclon; Spasmocyclone; Ciclospasmol; Ciclandelato; Sancyclan; Saiclate; Sepyron; Perebral; Dilatan; Clandilon; Capilan; Spasmione; Arto-espasmol; 3,3,5-Trimethylcyclohexyl mandelate; Cyclandelatum; 3,5,5-Trimethylcyclohexyl amygdalate; Cyclobral; Cyclergine; Cyclandelatum [INN-Latin]; Ciclandelato [INN-Spanish]; 3,5,5-Trimethylcyclohexyl mandelate; Novodil; Natil; Mandelic Acid 3,3,5-Trimethylcyclohexyl Ester; Cyclandelic acid; BS 572; UNII-4139O1OAY2; HSDB 3046; EINECS 207

Indication

Disease Entry	ICD 11	Status	REF
Dementia	6D80-6D86	Approved	[1]

• Affected Organisms: Humans and other mammals
• ATC Code:
  C04AX01: Cyclandelate
  C04AX: Other peripheral vasodilators
  C04A: PERIPHERAL VASODILATORS
  C04: PERIPHERAL VASODILATORS
  C: CARDIOVASCULAR SYSTEM
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 276.4
  Logarithm of the Partition Coefficient (xlogp); 4.2
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• ADMET Property: Absorption: The drug is well absorbed after oral administration []
• Chemical Identifiers:
  Formula: C17H24O3
  IUPAC Name: (3,3,5-trimethylcyclohexyl) 2-hydroxy-2-phenylacetate
  Canonical SMILES: CC1CC(CC(C1)(C)C)OC(=O)C(C2=CC=CC=C2)O
  InChI: InChI=1S/C17H24O3/c1-12-9-14(11-17(2,3)10-12)20-16(19)15(18)13-7-5-4-6-8-13/h4-8,12,14-15,18H,9-11H2,1-3H3
  InChIKey: WZHCOOQXZCIUNC-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 2893
  ChEBI ID: CHEBI:3988
  CAS Number: 456-59-7
  UNII: 4139O1OAY2
  DrugBank ID: DB04838
  TTD ID: D05VQI
  INTEDE ID: DR0389

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 3A4 (CYP3A4) Main DME	DE4LYSA	CP3A4_HUMAN	Substrate	[2]

Drug-Drug Interaction (DDI) Information of This Drug

Coadministration of a Drug Treating the Disease Different from Cyclandelate (Comorbidity)

DDI Drug Name	DDI Drug ID	Severity	Mechanism	Comorbidity	REF
Cariprazine	DMJYDVK	Moderate	Additive hypotensive effects by the combination of Cyclandelate and Cariprazine.	Bipolar disorder [6A60]	[3]
OPC-34712	DMHG57U	Moderate	Additive hypotensive effects by the combination of Cyclandelate and OPC-34712.	Depression [6A70-6A7Z]	[3]
ITI-007	DMUQ1DO	Moderate	Additive hypotensive effects by the combination of Cyclandelate and ITI-007.	Insomnia [7A00-7A0Z]	[3]
Ozanimod	DMT6AM2	Moderate	Additive hypotensive effects by the combination of Cyclandelate and Ozanimod.	Multiple sclerosis [8A40]	[4]
Safinamide	DM0YWJC	Moderate	Additive hypotensive effects by the combination of Cyclandelate and Safinamide.	Parkinsonism [8A00]	[4]
Iloperidone	DM6AUFY	Moderate	Additive hypotensive effects by the combination of Cyclandelate and Iloperidone.	Schizophrenia [6A20]	[3]
Amisulpride	DMSJVAM	Moderate	Additive hypotensive effects by the combination of Cyclandelate and Amisulpride.	Schizophrenia [6A20]	[3]
Asenapine	DMSQZE2	Moderate	Additive hypotensive effects by the combination of Cyclandelate and Asenapine.	Schizophrenia [6A20]	[3]

References

• [1] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
• [2] Integrated analysis on the physicochemical properties of dihydropyridine calcium channel blockers in grapefruit juice interactions. Curr Pharm Biotechnol. 2012 Jul;13(9):1705-17.
• [3] Aronowitz JS, Chakos MH, Safferman AZ, Lieberman JA "Syncope associated with the combination of clozapine and enalapril." J Clin Psychopharmacol 14 (1994): 429-30. [PMID: 7884028]
• [4] Ban TA "Drug interactions with psychoactive drugs." Dis Nerv Syst 36 (1975): 164-6. [PMID: 1116424]