Details of the Drug

General Information of Drug (ID: DMQNX02)

Drug Name

GYKI-12743

Synonyms

GYKI-12743; Gyki 12743; GKYI-12743; 110714-10-8; 2-(3-(Benzo(1,4)dioxan-2-ylmethylamino)-1-propyl)-3(2H)-pyridazinone hydrochloride; 2-{3-[(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)amino]propyl}pyridazin-3(2h)-one hydrochloride(1:1); 133983-22-9; 3(2H)-Pyridazinone, 2-[3-[[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]amino]propyl]-, hydrochloride (1:1); 3(2H)-Pyridazinone, 2-(3-(((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)amino)propyl)-, monohydrochloride; AC1Q3EJF; AC1L4TO4; SCHEMBL7284667; CTK4B8909; LS-129872

Indication

Disease Entry	ICD 11	Status	REF
Hypertension	BA00-BA04	Discontinued in Phase 1	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

337.8

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

6

Hydrogen Bond Donor Count

2

Hydrogen Bond Acceptor Count

5

Chemical Identifiers

Formula: C16H20ClN3O3
IUPAC Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)propyl]pyridazin-3-one;hydrochloride
Canonical SMILES: C1C(OC2=CC=CC=C2O1)CNCCCN3C(=O)C=CC=N3.Cl
InChI: InChI=1S/C16H19N3O3.ClH/c20-16-7-3-9-18-19(16)10-4-8-17-11-13-12-21-14-5-1-2-6-15(14)22-13;/h1-3,5-7,9,13,17H,4,8,10-12H2;1H
InChIKey: WJDFSAOMSJHHCG-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 163825
CAS Number: 110714-10-8
TTD ID: D0M6YW

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adrenergic receptor alpha-2C (ADRA2C)	TT2NUT5	ADA2C_HUMAN	Modulator	[2]

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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

Hypertension

ICD Disease Classification

BA00-BA04

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Adrenergic receptor alpha-2C (ADRA2C)	DTT	ADRA2C	1.76E-01	-0.06	-0.28

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression 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 800002059)
2	GYKI-12743 a new postsynaptic vascular alpha-adrenoceptor antagonist. Acta Physiol Hung. 1991;77(3-4):257-67.