General Information of the Compound
Compound ID
CP0419205
Compound Name
10-methyl-4,6-dioxo-1,9-dihydropyrido[3,2-g]quinoline-2,8-dicarboxylic acid
    Show/Hide
Structure
Formula
C15H10N2O6
Molecular Weight
314.253
Canonical SMILES
Cc1c2[nH]c(cc(=O)c2cc2c1[nH]c(cc2=O)C(O)=O)C(O)=O
    Show/Hide
InChI
InChI=1S/C15H10N2O6/c1-5-12-6(10(18)3-8(16-12)14(20)21)2-7-11(19)4-9(15(22)23)17-13(5)7/h2-4H,1H3,(H,16,18)(H,17,19)(H,20,21)(H,22,23)
    Show/Hide
InChIKey
ZQWZDAGMSVUJGI-UHFFFAOYSA-N
CAS
49635-47-4
Physicochemical Property
logP
1.07442
Rotatable Bonds
2
Heavy Atom Count
23
Polar Areas
140.32
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
4
Complexity
23

"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: 326869
ChEMBL ID
CHEMBL3306990
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: PT03308, G-protein coupled receptor 35
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  2
1
EC50 = 1.08 nM
   TI
   LI
   LO
   TS
2
IC50 = 0.74 nM
   TI
   LI
   LO
   TS
CL000007 HT-29 Homo sapiens (Human)  3
1
EC50 = 8 nM
   TI
   LI
   LO
   TS
2
IC50 = 2 nM
   TI
   LI
   LO
   TS
3
IC50 = 789 nM
   TI
   LI
   LO
   TS