General Information of the Compound
Compound ID
CP0016685
Compound Name
3-(2,4-dichlorophenyl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
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Synonyms
1H-Pyrrole-2,5-dione, 3-(2,4-dichlorophenyl)-4-(1-methyl-1H-indol-3-yl)-
280744-09-4
3-(2,4-Dichlorophenyl)-4-(1-methyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione
3-(2,4-dichlorophenyl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
3-(2,4-dichlorophenyl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione
AC1L41YI
AOB5004
BDBM8296
CHEBI:91421
CHEMBL102714
CTK8B4807
EX-A291
GTPL8015
Lopac-S-3442
Lopac0_000934
MLS001074894
SB 216763
SB-216763
SB216763
SCHEMBL30251
SR-01000076052
SYN1075
Tocris-1616
cid_176158
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Structure
Formula
C19H12Cl2N2O2
Molecular Weight
371.223
Canonical SMILES
Cn1cc(C2=C(C(=O)NC2=O)c2ccc(Cl)cc2Cl)c2ccccc12
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InChI
InChI=1S/C19H12Cl2N2O2/c1-23-9-13(11-4-2-3-5-15(11)23)17-16(18(24)22-19(17)25)12-7-6-10(20)8-14(12)21/h2-9H,1H3,(H,22,24,25)
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InChIKey
JCSGFHVFHSKIJH-UHFFFAOYSA-N
CAS
280744-09-4
Physicochemical Property
logP
4.0523
Rotatable Bonds
2
Heavy Atom Count
25
Polar Areas
51.1
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 176158
SID: 14804046
ChEMBL ID
CHEMBL102714
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
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480 Homo sapiens (Human)  1
1
Potency ~ 18356.4 nM
   TI
   LI
   LO
   TS
Protein ID: PT00962, Glycogen synthase kinase-3 beta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  2
1
IC50 = 19.8 nM
   TI
   LI
   LO
   TS
2
IC50 = 20 nM
   TI
   LI
   LO
   TS
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 33.88 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 7 nM
2 IC50 = 8.35 nM
3 IC50 = 9 nM
4 IC50 = 11.4 nM
5 IC50 = 34 nM
6 IC50 = 48 nM
7 IC50 = 50 nM
8 IC50 = 89 nM
9 IC50 = 92 nM
Protein ID: PT06124, Paired box protein Pax-8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000097 RMG-I Homo sapiens (Human)  1
1
AC50 = 4610 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( SB216763 )
Drug Name SB216763
Target(s)
Glycogen synthase kinase-3 alpha (GSK-3A)
Inhibitor