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]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

276.4

Topological Polar Surface Area (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 [2]

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
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	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

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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]	[13]
OPC-34712	DMHG57U	Moderate	Additive hypotensive effects by the combination of Cyclandelate and OPC-34712.	Depression [6A70-6A7Z]	[13]
ITI-007	DMUQ1DO	Moderate	Additive hypotensive effects by the combination of Cyclandelate and ITI-007.	Insomnia [7A00-7A0Z]	[13]
Ozanimod	DMT6AM2	Moderate	Additive hypotensive effects by the combination of Cyclandelate and Ozanimod.	Multiple sclerosis [8A40]	[14]
Safinamide	DM0YWJC	Moderate	Additive hypotensive effects by the combination of Cyclandelate and Safinamide.	Parkinsonism [8A00]	[14]
Iloperidone	DM6AUFY	Moderate	Additive hypotensive effects by the combination of Cyclandelate and Iloperidone.	Schizophrenia [6A20]	[13]
Amisulpride	DMSJVAM	Moderate	Additive hypotensive effects by the combination of Cyclandelate and Amisulpride.	Schizophrenia [6A20]	[13]
Asenapine	DMSQZE2	Moderate	Additive hypotensive effects by the combination of Cyclandelate and Asenapine.	Schizophrenia [6A20]	[13]
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⏷ Show the Full List of 8 DDI Information of This Drug

References

1	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2	FDA approval: ado-trastuzumab emtansine for the treatment of patients with HER2-positive metastatic breast cancer. Clin Cancer Res. 2014 Sep 1;20(17):4436-41.
3	Integrated analysis on the physicochemical properties of dihydropyridine calcium channel blockers in grapefruit juice interactions. Curr Pharm Biotechnol. 2012 Jul;13(9):1705-17.
4	Expression levels and activation of a PXR variant are directly related to drug resistance in osteosarcoma cell lines. Cancer. 2007 Mar 1;109(5):957-65.
5	Contribution of human hepatic cytochrome P450 isoforms to regioselective hydroxylation of steroid hormones. Xenobiotica. 1998 Jun;28(6):539-47.
6	Comprehensive evaluation of tamoxifen sequential biotransformation by the human cytochrome P450 system in vitro: prominent roles for CYP3A and CYP2D6. J Pharmacol Exp Ther. 2004 Sep;310(3):1062-75.
7	Isoform-specific regulation of cytochromes P450 expression by estradiol and progesterone. Drug Metab Dispos. 2013 Feb;41(2):263-9.
8	Metabolic interactions between acetaminophen (paracetamol) and two flavonoids, luteolin and quercetin, through in-vitro inhibition studies. J Pharm Pharmacol. 2017 Dec;69(12):1762-1772.
9	Potent mechanism-based inhibition of CYP3A4 by imatinib explains its liability to interact with CYP3A4 substrates. Br J Pharmacol. 2012 Apr;165(8):2787-98.
10	Effects of morin on the pharmacokinetics of etoposide in rats. Biopharm Drug Dispos. 2007 Apr;28(3):151-6.
11	The metabolism of zidovudine by human liver microsomes in vitro: formation of 3'-amino-3'-deoxythymidine. Biochem Pharmacol. 1994 Jul 19;48(2):267-76.
12	Substrates, inducers, inhibitors and structure-activity relationships of human Cytochrome P450 2C9 and implications in drug development. Curr Med Chem. 2009;16(27):3480-675.
13	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]
14	Ban TA "Drug interactions with psychoactive drugs." Dis Nerv Syst 36 (1975): 164-6. [PMID: 1116424]