Compound Detail

CHEMBL7917

TYRPHOSTIN AG-1478

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COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL7917
Name	TYRPHOSTIN AG-1478
Phase	Preclinical
Structure Type	MOL
InChI Key	GFNNBHLJANVSQV-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

315.8

MW (Da)

4.04

ALogP

HBA

HBD

56.3

PSA (Å²)

0.79

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula	C16H14ClN3O2
MW	315.76
Aromatic Rings	3
Heavy Atoms	22
NP-Likeness	-1.18

Activity Summary

IC50 28 meas. best 9.51

Ki 5 meas. best 5.73

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Epidermal growth factor receptor CHEMBL203	IC50	9.51	8.5386	0.3	7
Tyrosine-protein kinase ABL CHEMBL2111414	IC50	6.9	6.9	125.0	1
MAP kinase-interacting serine/threonine-protein kinase 1 CHEMBL4718	IC50	6.28	6.28	530.0	1
Mitogen-activated protein kinase 14 CHEMBL260	IC50	6.25	6.25	560.0	1
Fructose-1,6-bisphosphatase 1 CHEMBL3975	IC50	5.89	5.89	1300.0	1
Unchecked CHEMBL612545	IC50	5.89	5.89	1300.0	1
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase CHEMBL3984	Ki	5.73	5.04	1870.0	5
Plasmodium falciparum CHEMBL364	IC50	5.6	5.1571	2511.9	7
Proto-oncogene tyrosine-protein kinase Src CHEMBL267	IC50	5.57	5.57	2700.0	1
Alpha-ketoglutarate-dependent dioxygenase FTO CHEMBL2331065	IC50	5.52	5.52	3000.0	1
Danio rerio CHEMBL613963	IC50	4.9	4.9	12660.0	1
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase CHEMBL3984	IC50	4.71	4.485	19600.0	4
A-431 CHEMBL614069	IC50	4.7	4.7	20000.0	1
NIH3T3 CHEMBL614822	IC50	4.54	4.54	28600.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Epidermal growth factor receptor	IC50	=	0.31	nM	9.51	Concentration required to inhibit the phosphorylation of a 14-residue fragment o...	8568816
Epidermal growth factor receptor	IC50	=	0.3162	nM	9.5	Inhibition of EGFR	18271520
Epidermal growth factor receptor	IC50	=	1.6	nM	8.8	Inhibition of EGFR (unknown origin)	34425313
Epidermal growth factor receptor	IC50	=	3.0	nM	8.52	Inhibition of EGFR (unknown origin)	33970631
Epidermal growth factor receptor	IC50	=	5.0	nM	8.3	Inhibitory concentration against Epidermal growth factor receptor tyrosine kinas...	15454232
Epidermal growth factor receptor	IC50	=	6.0	nM	8.22	Inhibition of Epidermal growth factor receptor	10090785
Epidermal growth factor receptor	IC50	=	120.0	nM	6.92	Inhibition of Epidermal growth factor receptor-dependent phosphorylation	10090785
Tyrosine-protein kinase ABL	IC50	=	125.0	nM	6.9	Inhibition of v-Abl tyrosine kinase	10090785
MAP kinase-interacting serine/threonine-protein kinase 1	IC50	=	530.0	nM	6.28	Inhibition of MNK1	20722422
Mitogen-activated protein kinase 14	IC50	=	560.0	nM	6.25	Inhibitory concentration against alpha mitogen activated protein kinase p38 acti...	15454232
Fructose-1,6-bisphosphatase 1	IC50	=	1300.0	nM	5.89	Concentration required to inhibit the human liver recombinant fructose-1,6-bisph...	11140724
Unchecked	IC50	=	1300.0	nM	5.89	Inhibition of human recombinant FBPase using fructose-1,6-biphosphate as substra...	22960695
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase	Ki	=	1870.0	nM	5.73	Displacement of (6-FAM)KI(pY)VV from full length PKMYT1 (unknown origin) by fluo...	30388464
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase	Ki	=	1870.0	nM	5.73	Inhibition of human full length PKMYT1 expressed in HEK293 cells using EFS (247 ...	29941193
Plasmodium falciparum	IC50	=	2511.89	nM	5.6	Antiplasmodial activity against Plasmodium falciparum 3D7 after 72 hrs by SYBR g...	19734910
Proto-oncogene tyrosine-protein kinase Src	IC50	=	2700.0	nM	5.57	Inhibition of p60 c-Src tyrosine kinase	10090785
Alpha-ketoglutarate-dependent dioxygenase FTO	IC50	=	3000.0	nM	5.52	Inhibition of FTO (unknown origin) demethylation activity using m6A7-Broccoli RN...	34792334
Plasmodium falciparum	IC50	=	5011.87	nM	5.3	Antiplasmodial activity against Plasmodium falciparum D10 after 72 hrs by SYBR g...	19734910
Plasmodium falciparum	IC50	=	7943.28	nM	5.1	Antiplasmodial activity against Plasmodium falciparum GB4 after 72 hrs by SYBR g...	19734910
Plasmodium falciparum	IC50	=	7943.28	nM	5.1	Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR gr...	19734910

Literature References

PubMed	DOI	Target Context	# Activities
19734910	10.1038/nchembio.215	Plasmodium falciparum	7
30388464	10.1016/j.ejmech.2018.10.050	Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase	5
23398362	10.1042/bj20121418	cGMP-dependent protein kinase 1	4
23398362	10.1042/bj20121418	Tyrosine-protein kinase Lck	4
23398362	10.1042/bj20121418	Serine/threonine-protein kinase mTOR	4
23398362	10.1042/bj20121418	Cyclin-dependent kinase 5/CDK5 activator 1	4
23398362	10.1042/bj20121418	Insulin-like growth factor 1 receptor	4
29941193	10.1016/j.bmc.2018.06.027	Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase	4
23398362	10.1042/bj20121418	Protein kinase C beta type	4
23398362	10.1042/bj20121418	Tyrosine-protein kinase HCK	4
-	10.6019/CHEMBL4495565	SARS-CoV-2	4
23398362	10.1042/bj20121418	Insulin receptor	4
10090785	10.1021/jm980551o	Epidermal growth factor receptor	3
22770610	10.1016/j.ejmech.2012.06.007	Myelin transcription factor 1	3
17827153	10.1074/jbc.m703649200	NON-PROTEIN TARGET	3
11140724	10.1016/s0960-894x(00)00586-2	Fructose-1,6-bisphosphatase 1	3
23398362	10.1042/bj20121418	Fibroblast growth factor receptor 3	2
23398362	10.1042/bj20121418	Tyrosine-protein kinase Fyn	2
23398362	10.1042/bj20121418	Inhibitor of nuclear factor kappa-B kinase subunit alpha	2
23398362	10.1042/bj20121418	Fibroblast growth factor receptor 4	2

Data from ChEMBL 36 via Core Engine