Compound Detail

CHEMBL77030

TYRPHOSTIN 47

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N#C/C(=C\c1ccc(O)c(O)c1)C(N)=S

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL77030
Name	TYRPHOSTIN 47
Phase	Preclinical
Structure Type	MOL
InChI Key	ZGHQGWOETPXKLY-XVNBXDOJSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

220.2

MW (Da)

1.29

ALogP

HBA

HBD

90.3

PSA (Å²)

0.30

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 12 meas. best 5.88

Ki 2 meas. best 6.07

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Epidermal growth factor receptor CHEMBL203	Ki	6.07	6.07	850.0	1
Epidermal growth factor receptor CHEMBL203	IC50	5.88	5.56	1310.0	5
Unchecked CHEMBL612545	IC50	5.62	5.62	2400.0	1
Receptor tyrosine-protein kinase erbB-2 CHEMBL1824	IC50	5.24	5.24	5700.0	1
Plasmodium falciparum CHEMBL364	IC50	5.0	5.0	10000.0	1
Tyrosyl-DNA phosphodiesterase 1 CHEMBL1075138	IC50	4.92	4.92	12000.0	1
Tyrosine-protein kinase SYK CHEMBL2599	IC50	4.42	4.42	38000.0	1
Dynamin-1 CHEMBL4958	IC50	4.16	4.16	70000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Epidermal growth factor receptor	Ki	=	850.0	nM	6.07	Inhibitory concentration of EGF dependent autophosphorylation of epidermal growt...	2552117
Epidermal growth factor receptor	IC50	=	1310.0	nM	5.88	Inhibition of human EGFR tyrosine kinase activity	17981366
Epidermal growth factor receptor	IC50	=	2400.0	nM	5.62	Inhibitory concentration of EGF dependent autophosphorylation of epidermal growt...	2552117
Epidermal growth factor receptor	IC50	=	2400.0	nM	5.62	Inhibition of EGFR	18321716
Unchecked	IC50	=	2400.0	nM	5.62	Inhibition of PDGFR	18321716
Epidermal growth factor receptor	IC50	=	3000.0	nM	5.52	Inhibition of EGFR in human A431 cells	1479375
Receptor tyrosine-protein kinase erbB-2	IC50	=	5700.0	nM	5.24	Inhibition of human HER2 tyrosine kinase activity	17981366
Epidermal growth factor receptor	IC50	=	7000.0	nM	5.16	Inhibition of EGF-dependent proliferation of human and guinea pig keratinocytes;...	11462969
Plasmodium falciparum	IC50	=	10000.0	nM	5.0	Antiplasmodial activity against Plasmodium falciparum HB3 after 72 hrs by SYBR g...	19734910
Tyrosyl-DNA phosphodiesterase 1	IC50	=	12000.0	nM	4.92	Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-lab...	23006064
Tyrosine-protein kinase SYK	IC50	=	38000.0	nM	4.42	Inhibition of recombinant Syk	19254842
Dynamin-1	IC50	=	70000.0	nM	4.16	Inhibitory activity against dynamin1 GTPase expressed in sheep brain	16302817

PubMed	DOI	Target Context	# Activities
18321716	10.1016/j.bmc.2008.02.046	Unchecked	3
2552117	10.1021/jm00130a020	Epidermal growth factor receptor	2
11462969	10.1021/jm0000214	Epidermal growth factor receptor	1
16302817	10.1021/jm040208l	Dynamin-1	1
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
17981366	10.1016/j.ejmech.2007.09.018	Epidermal growth factor receptor	1
17981366	10.1016/j.ejmech.2007.09.018	Receptor tyrosine-protein kinase erbB-2	1
18321716	10.1016/j.bmc.2008.02.046	Epidermal growth factor receptor	1
18321716	10.1016/j.bmc.2008.02.046	Insulin receptor	1
19254842	10.1016/j.bmcl.2009.02.049	Tyrosine-protein kinase SYK	1
19734910	10.1038/nchembio.215	Plasmodium falciparum	1
17417631	10.1038/nchembio873	Unchecked	1
23006064	10.1021/jm3008773	Tyrosyl-DNA phosphodiesterase 1	1

Data from ChEMBL 36 via Core Engine