Details of the Drug

General Information of Drug (ID: DM3TABW)

Drug Name

Oxyphencyclimine

Synonyms

Antulcus; Caridan; Daricol; Manir; Naridan; Oxifencicliminum; Oxiphencycliminum; Oxyphencycliminum; Zamanil; Oxifencicliminum [INN-Spanish]; Oxyphencyclimine (INN); Oxyphencyclimine [INN:BAN]; Oxyphencycliminum [INN-Latin]; Benzeneacetic acid, .alpha.-cyclohexyl-.alpha.-hydroxy-, (1,4,5,6-tetrahydro-1-methyl-2-pyrimidinyl)methyl ester; (1-methyl-1,4,5,6-tetrahydropyrimidin-2-yl)methyl cyclohexyl(hydroxy)phenylacetate; (1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate; 1,4,5,6-Tetrahydro-1-methyl-2-pyrimidinemethanol-alpha-phenylcyclohexaneglycolate; 1,4,5,6-Tetrahydro-1-methyl-2-pyrimidinylmethyl alpha-cyclohexyl-alpha-phenylglycolat; 1-Methyl-1,4,5,6-tetrahydro-2-pyrimidinylmethyl-alpha-cyclohexylmandelat

Indication

Disease Entry	ICD 11	Status	REF
Peptic ulcer	DA61	Approved	[1]
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Therapeutic Class

Anticholinergic Agents

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

344.4

Logarithm of the Partition Coefficient (xlogp)

2.9

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C20H28N2O3
IUPAC Name: (1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
Canonical SMILES: CN1CCCN=C1COC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O
InChI: InChI=1S/C20H28N2O3/c1-22-14-8-13-21-18(22)15-25-19(23)20(24,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2,4-5,9-10,17,24H,3,6-8,11-15H2,1H3
InChIKey: DUDKAZCAISNGQN-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 4642
ChEBI ID: CHEBI:7868
CAS Number: 125-53-1
DrugBank ID: DB00383
TTD ID: D0H5DU

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Muscarinic acetylcholine receptor M5 (CHRM5)	TTH18TF	ACM5_HUMAN	Binder	[2]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Potassium voltage-gated channel subfamily H member 2 (KCNH2)	OTZX881H	KCNH2_HUMAN	Gene/Protein Processing	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7256).
2	Stereoselective interaction of procyclidine, hexahydro-difenidol, hexbutinol and oxyphencyclimine, and of related antagonists, with four muscarinic receptors. Eur J Pharmacol. 1992 Sep 1;227(1):33-42.
3	Why are most phospholipidosis inducers also hERG blockers?. Arch Toxicol. 2017 Dec;91(12):3885-3895. doi: 10.1007/s00204-017-1995-9. Epub 2017 May 27.