Details of the Drug

General Information of Drug (ID: DM7BXHQ)

Drug Name

GNF-PF-3878

Synonyms

143069-08-3; GNF-PF-3878; TCMDC-124255; 9-Acridinamine, N-(4-(4-ethyl-1-piperazinyl)phenyl)-; CHEMBL217366; N-(4-(4-Ethyl-1-piperazinyl)phenyl)-9-acridinamine; N-[4-(4-ethylpiperazin-1-yl)phenyl]acridin-9-amine; 9-Acridinamine,N-[4-(4-ethyl-1-piperazinyl)phenyl]-; N-(4-(4-ethylpiperazin-1-yl)phenyl)acridin-9-amine; CBDivE_005028; AC1MILKO; ACMC-20n23a; CTK4C3465; DTXSID10162300; BDBM50196122; AKOS030561802

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): 1

Molecular Weight (mw)

382.5

Logarithm of the Partition Coefficient (xlogp)

5.4

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C25H26N4
IUPAC Name: N-[4-(4-ethylpiperazin-1-yl)phenyl]acridin-9-amine
Canonical SMILES: CCN1CCN(CC1)C2=CC=C(C=C2)NC3=C4C=CC=CC4=NC5=CC=CC=C53
InChI: InChI=1S/C25H26N4/c1-2-28-15-17-29(18-16-28)20-13-11-19(12-14-20)26-25-21-7-3-5-9-23(21)27-24-10-6-4-8-22(24)25/h3-14H,2,15-18H2,1H3,(H,26,27)
InChIKey: CUVBGWMAORETGV-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 3072540
CAS Number: 143069-08-3
TTD ID: D07ICV

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	[1]
Adrenergic receptor alpha-2B (ADRA2B)	TTWM4TY	ADA2B_HUMAN	Inhibitor	[1]
Adrenergic receptor alpha-2C (ADRA2C)	TT2NUT5	ADA2C_HUMAN	Inhibitor	[1]

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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	Structure-activity relationship of quinoline derivatives as potent and selective alpha(2C)-adrenoceptor antagonists. J Med Chem. 2006 Oct 19;49(21):6351-63.