General Information of the Compound
Compound ID
CP0672481
Compound Name
SID90341202
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Synonyms
(5E)-5-(QUINOXALIN-6-YLMETHYLENE)-1,3-THIAZOLIDINE-2,4-DIONE
(5Z)-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione
(Z)-5-(Quinoxalin-6-ylmethylene)thiazolidine-2,4-dione
2a5u
5-(6-QUINOXALINYLMETHYLENE)-2,4-THIAZOLIDINEDIONE
5-(quinoxalin-6-ylmethylene)thiazolidine-2,4-dione
5-QUINOXALIN-6-YLMETHYLENE-THIAZOLIDINE-2,4-DIONE
5-Quinoxalin-6-ylmethylene-thiazolidine-2,4-dione
648450-29-7
AC1NRCY0
AOB3848
AS 605240
AS-605240
AS605240
CHEMBL568150
GTPL6023
HMS3650I15
MolPort-006-169-944
PI 3-Kg inhibitor
QYT
SCHEMBL668616
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Structure
Formula
C12H7N3O2S
Molecular Weight
257.274
Canonical SMILES
O=C1NC(=O)/C(=C/c2ccc3nccnc3c2)S1
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InChI
InChI=1S/C12H7N3O2S/c16-11-10(18-12(17)15-11)6-7-1-2-8-9(5-7)14-4-3-13-8/h1-6H,(H,15,16,17)/b10-6-
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InChIKey
SQWZFLMPDUSYGV-POHAHGRESA-N
Physicochemical Property
logP
1.9537
Rotatable Bonds
1
Heavy Atom Count
18
Polar Areas
71.95
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
18

"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: 5289247
SID: 16594487
ChEMBL ID
CHEMBL568150
DrugBank ID
DB04769
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: PT01592, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 1600 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT01065, Serine/threonine-protein kinase mTOR
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL001056 MEF-1 [Mouse fibroblast]
 Cell Line Info 
Mus musculus (Mouse)  1
1
Potency = 16481.6 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 5-QUINOXALIN-6-YLMETHYLENE-THIAZOLIDINE-2,4-DIONE )
Drug Name 5-QUINOXALIN-6-YLMETHYLENE-THIAZOLIDINE-2,4-DIONE
Target(s)
Monoamine oxidase type B (MAO-B)
 Target Info 
Inhibitor
PI3-kinase gamma (PIK3CG)
 Target Info 
Inhibitor