Details of the Drug

General Information of Drug (ID: DMAU0FP)

Drug Name

E-2070

Synonyms

Bayer E-2070; 64050-66-4; ENT 22,742; Phosphoric acid, 2-chloroethyl 2,2-dichlorovinyl propyl ester; AC1Q3VAX; AC1L3IYS; 2-chloroethyl 2,2-dichlorovinyl propyl phosphate; 2-chloroethyl 2,2-dichloroethenyl propyl phosphate; CTK5C0574; ENT-22742; LS-107547; Phosphoric acid,2-chloroethyl 2,2-dichloroethenyl propyl ester

Indication

Disease Entry	ICD 11	Status	REF
Neuropathic pain	8E43.0	Terminated	[1]
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Therapeutic Class

Analgesics

Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

291.11

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

3

Hydrogen Bond Donor Count

2

Hydrogen Bond Acceptor Count

6

Chemical Identifiers

Formula: C14H18BNO5
IUPAC Name: 5-hydroxy-6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine-2-carboxylic acid
Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)/C=C/C2=C(C=CC(=N2)C(=O)O)O
InChI: InChI=1S/C14H18BNO5/c1-13(2)14(3,4)21-15(20-13)8-7-9-11(17)6-5-10(16-9)12(18)19/h5-8,17H,1-4H3,(H,18,19)/b8-7+
InChIKey: WTOZVQHWGKJNCT-BQYQJAHWSA-N

Cross-matching ID

PubChem CID: 74788985
TTD ID: D0T7XN

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Sodium channel unspecific (NaC)	TTRK8B9	NOUNIPROTAC	Blocker	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800019940)
2	Emerging therapies for neuropathic pain. Expert Opin Emerg Drugs. 2005 Feb;10(1):95-108.