General Information of the Compound
Compound ID
CP0067694
Compound Name
Acridin-9-yl-[4-(4-methyl-piperazin-1-yl)-phenyl]-amine
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Synonyms
JP-1302
80259-18-3
9-Acridinamine, N-(4-(4-methyl-1-piperazinyl)phenyl)-
9-Acridinamine, N-[4-(4-methyl-1-piperazinyl)phenyl]-
Acridin-9-yl-[4-(4-methyl-piperazin-1-yl)-phenyl]-amine
BRN 5117597
CHEMBL106525
GNF-PF-3427
JP 1302
JP-1302
JP1302
MMV006172
N-(4-(4-Methyl-1-piperazinyl)phenyl)-9-acridinamine
N-(4-(4-methylpiperazin-1-yl)phenyl)acridin-9-amine
N-[4-(4-Methyl-1-piperazinyl)phenyl]-9-acridinamine
N-[4-(4-methylpiperazin-1-yl)phenyl]acridin-9-amine
QZKGUNQLVFEEBA-UHFFFAOYSA-N
TCMDC-123912
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Structure
Formula
C24H24N4
Molecular Weight
368.484
Canonical SMILES
CN1CCN(CC1)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1
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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)
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InChIKey
QZKGUNQLVFEEBA-UHFFFAOYSA-N
CAS
80259-18-3
Physicochemical Property
logP
4.8834
Rotatable Bonds
3
Heavy Atom Count
28
Polar Areas
31.4
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
28

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 540335
SID: 15142450
ChEMBL ID
CHEMBL106525
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01650, Alpha-2A adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000796 SC-115 Mus musculus (Mouse)  1
1
Ki = 3200 nM
   TI
   LI
   LO
   TS
Protein ID: PT02026, Alpha-2B adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000796 SC-115 Mus musculus (Mouse)  1
1
Ki = 1500 nM
   TI
   LI
   LO
   TS
Protein ID: PT01598, Alpha-2C adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000796 SC-115 Mus musculus (Mouse)  1
1
Ki = 28 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 27.99 nM
Clinical Information about the Compound
Drug 1 ( JP1302 )
Drug Name JP1302
Target(s)
Adrenergic receptor alpha-2B (ADRA2B)
Inhibitor
Adrenergic receptor alpha-2A (ADRA2A)
Inhibitor
Adrenergic receptor alpha-2C (ADRA2C)
Antagonist