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]
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
ChEBI ID
CHEMBL217366
CAS Number
143069-08-3
TTD ID
D07ICV
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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 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
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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.