General Information of the Compound
Compound ID
CP0035302
Compound Name
(3Z)-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-1H-indol-2-one
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Synonyms
(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one
(Z)-3-((1H-pyrrol-2-yl)methylene)indolin-2-one
3-(1H-Pyrrol-2-ylmethylene)-1,3-dihydroindol-2-one
3-[(1H-Pyrrole-2-yl)methylene]-1H-indole-2(3H)-one
AC1NZGXV
BDBM17015
BRD-K51816706-001-01-7
CHEMBL86755
HSCI1_000049
Indolinone based inhibitor, 1
K00027
MolPort-023-197-743
NCGC00343760-01
Oxindole I
SCHEMBL1162655
SCHEMBL13819612
SEZFNTZQMWJIAI-FLIBITNWSA-N
Z-(1H-Pyrrol-2-ylmethylene)-1,3-dihydro-indol-2-one
ZINC3874586
oxindole 1
oxindole i
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Structure
Formula
C13H10N2O
Molecular Weight
210.236
Canonical SMILES
O=C1Nc2ccccc2\C1=C\c1ccc[nH]1
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InChI
InChI=1S/C13H10N2O/c16-13-11(8-9-4-3-7-14-9)10-5-1-2-6-12(10)15-13/h1-8,14H,(H,15,16)/b11-8-
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InChIKey
SEZFNTZQMWJIAI-FLIBITNWSA-N
Physicochemical Property
logP
2.5074
Rotatable Bonds
1
Heavy Atom Count
16
Polar Areas
44.89
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
1
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).

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PubChem ID
CID: 5908088
SID: 14748889
ChEMBL ID
CHEMBL86755
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: PT00951, Proto-oncogene tyrosine-protein kinase receptor Ret
 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 = 460 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( (Z)-3-((1H-pyrrol-2-yl)methylene)indolin-2-one )
Drug Name (Z)-3-((1H-pyrrol-2-yl)methylene)indolin-2-one
Target(s)
PDK-1 messenger RNA (PDK-1 mRNA)
 Target Info 
Inhibitor
RAC-alpha serine/threonine-protein kinase (AKT1)
 Target Info 
Inhibitor
Proto-oncogene c-Ret (RET)
 Target Info 
Inhibitor