Details of the Drug

General Information of Drug (ID: DM69NF1)

Drug Name

EP-101

Synonyms

106-86-5; 1,2-Epoxy-4-vinylcyclohexane; 3-Vinyl-7-oxabicyclo[4.1.0]heptane; Epoxide 101; 4-Vinylcyclohexene oxide; Unoxat epoxide 101; Vinylcyclohexane monoxide; 4-Vinyl-1,2-epoxycyclohexane; 1-Vinyl-3,4-epoxycyclohexane; 4-Vinylcyclohexene monoxide; 3,4-Epoxycyclohexylethylene; 7-Oxabicyclo[4.1.0]heptane, 3-ethenyl-; 4-Vinylcyclohexane monoepoxide; EP-101; Vinylcyclohexene monoxide; 4-Vinylcyclohexene-1,2-epoxide; 4-Vinylcyclohexane, 1,2-epoxide; EINECS 203-436-1; 4-Vinyl-1-Cyclohexene 1,2-Epoxide; NSC 35409

Indication

Disease Entry	ICD 11	Status	REF
Chronic obstructive pulmonary disease	CA22	Phase 2	[1]
Breast cancer	2C60-2C65	Phase 1	[2]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

124.18

Logarithm of the Partition Coefficient (xlogp)

1.7

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C8H12O
IUPAC Name: 3-ethenyl-7-oxabicyclo[4.1.0]heptane
Canonical SMILES: C=CC1CCC2C(C1)O2
InChI: InChI=1S/C8H12O/c1-2-6-3-4-7-8(5-6)9-7/h2,6-8H,1,3-5H2
InChIKey: SLJFKNONPLNAPF-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 7832
CAS Number: 106-86-5
TTD ID: D0KX9B

Repurposed Drugs (RPD)

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Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Muscarinic acetylcholine receptor (CHRM)	TTOXS3C	NOUNIPROTAC	Antagonist	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

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References

1	ClinicalTrials.gov (NCT01426009) Study to Investigate the Dose Response, Safety and Efficacy of Nebulized EP-101 in Patients With Chronic Obstructive Pulmonary Disease (COPD): GOLDEN-1 Study. U.S. National Institutes of Health.
2	Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
3	Long-acting muscarinic receptor antagonists for the treatment of respiratory disease. Pulm Pharmacol Ther. 2013 Jun;26(3):307-17.