Details of the Drug

General Information of Drug (ID: DMDZ4R2)

Drug Name

Org-30029

Synonyms

Org-30029; Org 30029; 101041-95-6; N'-Hydroxy-5,6-dimethoxybenzo[b]thiophene-2-carboximidamide hydrochloride; DTXSID50143698; AKOS015848621; Benzo(b)thiophene-2-carboximidamide, N-hydroxy-5,6-dimethoxy-, monohydrochloride; (Z)-N'-hydroxy-5,6-dimethoxy-1-benzothiophene-2-carboximidamide hydrochloride

Indication

Disease Entry	ICD 11	Status	REF
Heart failure	BD10-BD13	Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

288.75

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

3

Hydrogen Bond Donor Count

3

Hydrogen Bond Acceptor Count

5

Chemical Identifiers

Formula: C11H13ClN2O3S
IUPAC Name: N'-hydroxy-5,6-dimethoxy-1-benzothiophene-2-carboximidamide;hydrochloride
Canonical SMILES: COC1=C(C=C2C(=C1)C=C(S2)/C(=N/O)/N)OC.Cl
InChI: InChI=1S/C11H12N2O3S.ClH/c1-15-7-3-6-4-10(11(12)13-14)17-9(6)5-8(7)16-2;/h3-5,14H,1-2H3,(H2,12,13);1H
InChIKey: DVWBMWJOYIFITF-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 9576838
CAS Number: 101041-95-6
TTD ID: D09PLF

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Phosphodiesterase 3 (PDE3)	TTZCG4L	NOUNIPROTAC	Modulator	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Effects of the positive inotropic agent Org 30029 on developed force and aequorin light transients in intact canine ventricular myocardium. Circ Res. 1993 Mar;72(3):597-606.