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Compound Detail

CHEMBL78257

TYRPHOSTIN 51
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N#CC(C#N)=C(N)/C(C#N)=C/c1cc(O)c(O)c(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL78257
Name TYRPHOSTIN 51
Phase Preclinical
Structure Type MOL
InChI Key JKNOYWVMHPMBEL-UNXLUWIOSA-N
6
Targets
15
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names

Molecular Properties

268.2
MW (Da)
0.97
ALogP
7
HBA
4
HBD
158.1
PSA (Ų)
0.35
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H8N4O3
MW 268.23
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 0.60

Activity Summary

IC50 15 meas. best 6.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Epidermal growth factor receptor
CHEMBL203
 IC50 6.1 5.9225 800.0 4
Platelet-derived growth factor receptor beta
CHEMBL1913
 IC50 5.55 5.55 2800.0 1
Plasmodium falciparum
CHEMBL364
 IC50 5.4 5.2429 3981.1 7
Vascular endothelial growth factor receptor 2
CHEMBL279
 IC50 5.37 5.37 4300.0 1
Fibroblast growth factor receptor 1
CHEMBL3650
 IC50 5.31 5.31 4900.0 1
Unchecked
CHEMBL612545
 IC50 4.87 4.87 13600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Epidermal growth factor receptor IC50 = 800.0 nM 6.1 Inhibitory concentration of EGF dependent autophosphorylation of epidermal growt... 2552117
Epidermal growth factor receptor IC50 = 800.0 nM 6.1 Inhibition of EGFR in human A431 cells 1479375
Epidermal growth factor receptor IC50 = 800.0 nM 6.1 Inhibition of EGFR 18321716
Platelet-derived growth factor receptor beta IC50 = 2800.0 nM 5.55 Inhibitory activity against PDGFRbeta kinase 16321529
Plasmodium falciparum IC50 = 3981.07 nM 5.4 Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR gr... 19734910
Epidermal growth factor receptor IC50 = 4100.0 nM 5.39 Inhibitory activity against EGFR kinase 16321529
Vascular endothelial growth factor receptor 2 IC50 = 4300.0 nM 5.37 Inhibitory activity against VEGFR2 kinase 16321529
Fibroblast growth factor receptor 1 IC50 = 4900.0 nM 5.31 Inhibitory activity against FGFR1 kinase 16321529
Plasmodium falciparum IC50 = 5011.87 nM 5.3 Antiplasmodial activity against Plasmodium falciparum 3D7 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 5011.87 nM 5.3 Antiplasmodial activity against Plasmodium falciparum Dd2 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 5011.87 nM 5.3 Antiplasmodial activity against Plasmodium falciparum HB3 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 6309.57 nM 5.2 Antiplasmodial activity against Plasmodium falciparum 7G8 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 6309.57 nM 5.2 Antiplasmodial activity against Plasmodium falciparum GB4 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 10000.0 nM 5.0 Antiplasmodial activity against Plasmodium falciparum D10 after 72 hrs by SYBR g... 19734910
Unchecked IC50 = 13600.0 nM 4.87 PUBCHEM_BIOASSAY: A biochemical assay using the ADP-Hunter methodology, purified... -

Literature References

PubMed DOI Target Context # Activities
19734910 10.1038/nchembio.215 Plasmodium falciparum 7
2552117 10.1021/jm00130a020 Epidermal growth factor receptor 2
16321529 10.1016/j.bmcl.2005.08.115 Epidermal growth factor receptor 2
16321529 10.1016/j.bmcl.2005.08.115 Vascular endothelial growth factor receptor 2 2
16321529 10.1016/j.bmcl.2005.08.115 Fibroblast growth factor receptor 1 2
16321529 10.1016/j.bmcl.2005.08.115 Platelet-derived growth factor receptor beta 2
18321716 10.1016/j.bmc.2008.02.046 Unchecked 2
17724020 10.1074/jbc.m705456200 Catechol O-methyltransferase 1
17724020 10.1074/jbc.m705456200 Unchecked 1
1479375 10.1021/np50089a001 Epidermal growth factor receptor 1
18321716 10.1016/j.bmc.2008.02.046 Epidermal growth factor receptor 1
17417631 10.1038/nchembio873 Unchecked 1

Data from ChEMBL 36 via Core Engine