General Information of the Compound
Compound ID
CP0015862
Compound Name
3-[(3-chloro-4-hydroxyphenyl)amino]-4-(2-nitrophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
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Synonyms
1H-Pyrrol-2,5-dione, 3-((3-chloro-4-hydroxyphenyl)amino)-4-(2-nitrophenyl)-
264218-23-7
3-(3-chloro-4-hydroxyanilino)-4-(2-nitrophenyl)pyrrole-2,5-dione
3-(3-chloro-4-hydroxyphenylamino)-4-(2-nitrophenyl)-1H-pyrrole-2,5-dione
3-(3-chloro-4-hydroxyphenylamino)-4-(4-nitrophenyl)-1H-pyrrole-2,5-dione
3-[(3-chloro-4-hydroxyphenyl)amino]-4-(2-nitrophenyl)-1H-pyrrole-2,5-dione
CHEMBL322970
SB 415286
SB-415286
SB415286
SMR000568415
SR-01000075855
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Structure
Formula
C16H10ClN3O5
Molecular Weight
359.725
Canonical SMILES
Oc1ccc(NC2=C(C(=O)NC2=O)c2ccccc2N(=O)=O)cc1Cl
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InChI
InChI=1S/C16H10ClN3O5/c17-10-7-8(5-6-12(10)21)18-14-13(15(22)19-16(14)23)9-3-1-2-4-11(9)20(24)25/h1-7,21H,(H2,18,19,22,23)
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InChIKey
PQCXVIPXISBFPN-UHFFFAOYSA-N
CAS
264218-23-7
Physicochemical Property
logP
2.4334
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
121.57
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Complexity
25

"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: 4210951
SID: 14828233
ChEMBL ID
CHEMBL322970
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: PT06109, Geminin
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480
 Cell Line Info 
Homo sapiens (Human)  1
1
Potency ~ 29092.9 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT00962, Glycogen synthase kinase-3 beta
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 54 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 34 nM
2 IC50 = 50 nM
3 IC50 = 77 nM
4 IC50 = 78 nM
5 IC50 = 90 nM
6 IC50 = 104 nM
7 IC50 = 380 nM
8 Ki = 24 nM
Clinical Information about the Compound
Drug 1 ( SB-415286 )
Drug Name SB-415286
Target(s)
Ribosomal protein S6 kinase beta-1 (S6K1)
 Target Info 
Inhibitor
Glycogen synthase kinase-3 beta (GSK-3B)
 Target Info 
Inhibitor