General Information of the Compound
Compound ID
CP0188290
Compound Name
1,2-Dione-Based Compound, 17
    Show/Hide
Synonyms
1 10-Phenanthroline-5 6-Dione 97
1,10-Pad
1,10-Phenanthroline-5,6-dione
1,10-Phenanthroline-5,6-dione, 98%
1,10-phenanthroline-5,6-dione
1,2-Dione-Based Compound, 17
27318-90-7
8JD7KXA2W0
AC1L2IPW
AC1Q6N66
ACMC-209gwd
AK-27690
BDBM22860
CHEMBL235504
CTK1A4985
DTXSID60181763
J-400086
KCALAFIVPCAXJI-UHFFFAOYSA-N
KS-00000LQX
KSC204S8L
MLS003171048
MolPort-002-720-727
NSC 346882
NSC346882
PHOX31
Phen-5,6-dione
PubChem16755
SCHEMBL460433
UNII-8JD7KXA2W0
ZX-AT019110
[1,10]Phenanthroline-5,6-dione
cid_72810
pyridino[3,2-h]quinoline-5,6-dione
    Show/Hide
Structure
Formula
C12H6N2O2
Molecular Weight
210.192
Canonical SMILES
O=C1C(=O)c2cccnc2-c2ncccc12
    Show/Hide
InChI
InChI=1S/C12H6N2O2/c15-11-7-3-1-5-13-9(7)10-8(12(11)16)4-2-6-14-10/h1-6H
    Show/Hide
InChIKey
KCALAFIVPCAXJI-UHFFFAOYSA-N
CAS
71958-78-6
27318-90-7
Physicochemical Property
logP
1.5226
Rotatable Bonds
0
Heavy Atom Count
16
Polar Areas
59.92
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
16

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 72810
SID: 15121165
ChEMBL ID
CHEMBL235504
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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000156 HT-1080
 Cell Line Info 
Homo sapiens (Human)  1
1
Potency ~ 1032.3 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT06124, Paired box protein Pax-8
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000097 RMG-I
 Cell Line Info 
Homo sapiens (Human)  1
1
AC50 = 3320 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 1,10-phenanthroline-5,6-dione )
Drug Name 1,10-phenanthroline-5,6-dione
Target(s)
Liver carboxylesterase (CES1)
 Target Info 
Inhibitor