Details of the Drug

General Information of Drug (ID: DMMVBK6)

Drug Name

JP1302

Synonyms

N-(4-(4-Methyl-1-piperazinyl)phenyl)-9-acridinamine; GNF-PF-3427; TCMDC-123912; BRN 5117597; 80259-18-3; MMV006172; JP 1302; N-[4-(4-methylpiperazin-1-yl)phenyl]acridin-9-amine; CHEMBL106525; QZKGUNQLVFEEBA-UHFFFAOYSA-N; 9-Acridinamine, N-(4-(4-methyl-1-piperazinyl)phenyl)-; Acridin-9-yl-[4-(4-methyl-piperazin-1-yl)-phenyl]-amine; N-(4-(4-methylpiperazin-1-yl)phenyl)acridin-9-amine; N-[4-(4-Methyl-1-piperazinyl)phenyl]-9-acridinamine; 9-Acridinamine, N-[4-(4-methyl-1-piperazinyl)phenyl]-; JP-1302; JP-1302

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)

368.5

Logarithm of the Partition Coefficient (xlogp)

5

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C24H24N4
IUPAC Name: N-[4-(4-methylpiperazin-1-yl)phenyl]acridin-9-amine
Canonical SMILES: CN1CCN(CC1)C2=CC=C(C=C2)NC3=C4C=CC=CC4=NC5=CC=CC=C53
InChI: InChI=1S/C24H24N4/c1-27-14-16-28(17-15-27)19-12-10-18(11-13-19)25-24-20-6-2-4-8-22(20)26-23-9-5-3-7-21(23)24/h2-13H,14-17H2,1H3,(H,25,26)
InChIKey: QZKGUNQLVFEEBA-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 540335
CAS Number: 80259-18-3
TTD ID: D0L7IZ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adrenergic receptor alpha-2A (ADRA2A)	TTWG9A4	ADA2A_HUMAN	Inhibitor	[2]
Adrenergic receptor alpha-2B (ADRA2B)	TTWM4TY	ADA2B_HUMAN	Inhibitor	[2]
Adrenergic receptor alpha-2C (ADRA2C)	TT2NUT5	ADA2C_HUMAN	Antagonist	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

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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
Adrenergic receptor alpha-2C (ADRA2C)	DTT	ADRA2C	1.76E-01	-0.06	-0.28

Molecular Expression Atlas (MEA)

MEA Detail

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References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 3930).
2	Structure-activity relationship of quinoline derivatives as potent and selective alpha(2C)-adrenoceptor antagonists. J Med Chem. 2006 Oct 19;49(21):6351-63.
3	Pharmacological characterization and CNS effects of a novel highly selective alpha2C-adrenoceptor antagonist JP-1302. Br J Pharmacol. 2007 Feb;150(4):391-402.