Details of the Drug

General Information of Drug (ID: DMQ6K8J)

Drug Name

Z-6568

Indication

Disease Entry	ICD 11	Status	REF
Hypertension	BA00-BA04	Terminated	[1]
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Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

281.26

Logarithm of the Partition Coefficient (xlogp)

2.1

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C13H15NO6
IUPAC Name: ethyl 4-(2-ethoxy-2-oxoethyl)-3-nitrobenzoate
Canonical SMILES: CCOC(=O)CC1=C(C=C(C=C1)C(=O)OCC)[N+](=O)[O-]
InChI: InChI=1S/C13H15NO6/c1-3-19-12(15)8-9-5-6-10(13(16)20-4-2)7-11(9)14(17)18/h5-7H,3-4,8H2,1-2H3
InChIKey: SKZKACZIGOSXQL-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Calcium channel unspecific (CaC)	TT5HONZ	NOUNIPROTAC	Modulator	[2]

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Molecular Interaction Atlas (MIA)

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 800007046)
2	Determination of the dihydropyridine aryloxypropanolamine Z6568 and its acidic metabolites in plasma, urine and tissues by solid phase extraction and liquid chromatography/negative-ion mass spectrometry. J Mass Spectrom. 1996 Sep;31(9):994-1002.