General Information of the Compound
Compound ID
CP0015519
Compound Name
(Z )-3-[(2,4-dimethyl-3-(ethoxycarbonyl)pyrrol-5-yl)methylidenyl]indolin-2-one
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Synonyms
(Z)-3-[(2,4-Dimethyl-3-(ethoxycarbonyl)pyrrol-5-yl)methylidenyl]indolin-2-one
15966-93-5
AC1O4WEX
CHEMBL86943
Ethyl 2,4-dimethyl-5-(((3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene)methyl)-1H-pyrrole-3-carboxylate
GTPL6053
HMS3229O05
K00004
MolPort-044-561-167
SCHEMBL378979
U07H877HUF
UNII-U07H877HUF
VEGF Receptor 2 Kinase Inhibitor I
VEGF receptor 2 kinase inhibitor I
VEGFR2 KiN/Ase Inhibitor I
Vegfr 2 kinase inhibitor I
Vegfr-2 inhi
ZINC3875265
ethyl 2,4-dimethyl-5-{[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-1H-pyrrole-3-carboxylate
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Structure
Formula
C18H18N2O3
Molecular Weight
310.353
Canonical SMILES
CCOC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccccc23)c1C
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InChI
InChI=1S/C18H18N2O3/c1-4-23-18(22)16-10(2)15(19-11(16)3)9-13-12-7-5-6-8-14(12)20-17(13)21/h5-9,19H,4H2,1-3H3,(H,20,21)/b13-9-
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InChIKey
PMUJUSJUVIXDQC-LCYFTJDESA-N
Physicochemical Property
logP
3.30094
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
71.19
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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).

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PubChem ID
CID: 6419834
SID: 15519952
ChEMBL ID
CHEMBL86943
DrugBank ID
DB17061
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 = 760 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( VEGF receptor 2 kinase inhibitor I )
Drug Name VEGF receptor 2 kinase inhibitor I
Target(s)
Vascular endothelial growth factor receptor 2 (KDR)
 Target Info 
Inhibitor