Details of the Drug

General Information of Drug (ID: DMGLWOM)

Drug Name

7-Nitroindazole-2-Carboxamidine

Synonyms

7-nitroindazole-2-carboxamidine; 7-nitro-2h-indazole-2-carboximidamide; 7I2; AC1L1CGX; SCHEMBL4315825; CTK5I3867; 7-nitroindazole-2-carboximidamide; 7-Nitro-2H-indazole-2-carboxamidine

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

205.17

Logarithm of the Partition Coefficient (xlogp)

0.8

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C8H7N5O2
IUPAC Name: 7-nitroindazole-2-carboximidamide
Canonical SMILES: C1=CC2=CN(N=C2C(=C1)[N+](=O)[O-])C(=N)N
InChI: InChI=1S/C8H7N5O2/c9-8(10)12-4-5-2-1-3-6(13(14)15)7(5)11-12/h1-4H,(H3,9,10)
InChIKey: GFYAZUABYOOPCN-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 1894
DrugBank ID: DB03065
TTD ID: D0N5LD

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Nitric-oxide synthase endothelial (NOS3)	TTCM4B3	NOS3_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Nitric-oxide synthase endothelial (NOS3)	DTT	NOS3	3.68E-01	-0.11	-0.85

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.