General Information of the Compound
Compound ID
CP0003453
Compound Name
9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phenyl)benzo[h][1,6]naphthyridin-2(1H)-one
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Synonyms
1223001-51-1
17G
9-(6-AMINO-3-PYRIDINYL)-1-[3-(TRIFLUOROMETHYL)PHENYL]-BENZO[H]-1,6-NAPHTHYRIDIN-2(1H)-ONE
9-(6-AMINO-PYRIDIN-3-YL)-1-(3-TRIFLUOROMETHYL-PHENYL)-1H-BENZO[H][1,6]NAPHTHYRIDIN-2-ONE
9-(6-AMINOPYRIDIN-3-YL)-1-(3-(TRIFLUOROMETHYL)PHENYL)BENZO[H][1,6]NAPHTHYRIDIN-2(1H)-ONE
9-(6-AMINOPYRIDIN-3-YL)-1-[3-(TRIFLUOROMETHYL)PHENYL]-1H,2H-BENZO[H]1,6-NAPHTHYRIDIN-2-ONE
9-(6-Amino-3-pyridinyl)-1-[3-(trifl uoromethyl)phenyl]-benzo[h]-1,6-naphthyridin-2(1H) -one
9-(6-Amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]benzo[h]-1,6-naphthyridin-2(1H)-one
9-(6-Aminopyridin-3-Yl)-1-[3-(Trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2(1h)-One
9-(6-Aminopyridin-3-yl)-1-(3-(trifluoromethyl)-phenyl)benzo[h][1,6]naphthyridin-2(1H)-one
9-(6-amino-3-pyridyl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one
9-(6-aminopyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one
AB0035864
ABP000908
AC-31520
AK171126
AKOS024458055
AOB3537
AS-74405
BCP02612
BDBM50341209
BENZO[H]-1,6-NAPHTHYRIDIN-2(1H)-ONE, 9-(6-AMINO-3-PYRIDINYL)-1-[3-(TRIFLUOROMETHYL)PHENYL]-
BRD-K68174511-001-01-7
C24H15F3N4O
CCG-265003
CHEBI:90682
CHEMBL1765602
CS-0236
DB-084736
DTXSID00679917
EX-A431
FT-0700124
GTPL8839
HMS3265O05
HMS3265O06
HMS3265P05
HMS3265P06
HMS3651N13
HY-13002
J-519481
MFCD18782652
MLS006011167
NCGC00263216-01
NCGC00263216-02
NCGC00263216-09
NCGC00263216-13
NSC-775727
NSC775727
PB34957
Q-4148
Q27089008
SCHEMBL6876328
SMR004702936
SW218309-2
Torin 2
Torin-2
Torin2
Y0293
ZINC71318831
cc-275
s2817
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Structure
Formula
C24H15F3N4O
Molecular Weight
432.405
Canonical SMILES
Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4cccc(c4)C(F)(F)F)c3c2c1
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InChI
InChI=1S/C24H15F3N4O/c25-24(26,27)17-2-1-3-18(11-17)31-22(32)9-6-16-13-29-20-7-4-14(10-19(20)23(16)31)15-5-8-21(28)30-12-15/h1-13H,(H2,28,30)
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InChIKey
GUXXEUUYCAYESJ-UHFFFAOYSA-N
Physicochemical Property
logP
5.2019
Rotatable Bonds
2
Heavy Atom Count
32
Polar Areas
73.8
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
32

"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: 51358113
SID: 121277293
ChEMBL ID
CHEMBL1765602
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: PT01045, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000048 PC-3
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 200 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Torin2 )
Drug Name Torin2
Indication
T-cell leukaemia
Investigative
Target(s)
Serine/threonine-protein kinase mTOR (mTOR)
 Target Info 
Inhibitor