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Compound Detail

CHEMBL310798

TYRPHOSTIN 25
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N#CC(C#N)=Cc1cc(O)c(O)c(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL310798
Name TYRPHOSTIN 25
Phase Preclinical
Structure Type MOL
InChI Key YZOFLYUAQDJWKV-UHFFFAOYSA-N
4
Targets
11
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

202.2
MW (Da)
1.23
ALogP
5
HBA
3
HBD
108.3
PSA (Ų)
0.47
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C10H6N2O3
MW 202.17
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness 0.10

Activity Summary

IC50 10 meas. best 5.52
Ki 1 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Epidermal growth factor receptor
CHEMBL203
 Ki 6.0 6.0 1000.0 1
Epidermal growth factor receptor
CHEMBL203
 IC50 5.52 5.52 3000.0 1
Tyrosine-protein kinase Lck
CHEMBL258
 IC50 5.52 5.52 3000.0 1
Autoinducer 2-binding periplasmic protein LuxP
CHEMBL6100
 IC50 5.52 5.52 3000.0 1
Plasmodium falciparum
CHEMBL364
 IC50 5.2 5.0286 6309.6 7

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Epidermal growth factor receptor Ki = 1000.0 nM 6.0 Inhibitory concentration of EGF dependent autophosphorylation of epidermal growt... 2552117
Epidermal growth factor receptor IC50 = 3000.0 nM 5.52 Inhibitory concentration of EGF dependent autophosphorylation of epidermal growt... 2552117
Tyrosine-protein kinase Lck IC50 = 3000.0 nM 5.52 Inhibitory activity against protein tyrosine kinase 7902440
Autoinducer 2-binding periplasmic protein LuxP IC50 = 3000.0 nM 5.52 Antagonist activity at LuxP receptor in Vibrio harveyi MM32 assessed as inhibiti... 18262415
Plasmodium falciparum IC50 = 6309.57 nM 5.2 Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR gr... 19734910
Plasmodium falciparum IC50 = 7943.28 nM 5.1 Antiplasmodial activity against Plasmodium falciparum 7G8 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 7943.28 nM 5.1 Antiplasmodial activity against Plasmodium falciparum HB3 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 10000.0 nM 5.0 Antiplasmodial activity against Plasmodium falciparum 3D7 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 10000.0 nM 5.0 Antiplasmodial activity against Plasmodium falciparum GB4 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 12589.25 nM 4.9 Antiplasmodial activity against Plasmodium falciparum D10 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 12589.25 nM 4.9 Antiplasmodial activity against Plasmodium falciparum Dd2 after 72 hrs by SYBR g... 19734910

Literature References

PubMed DOI Target Context # Activities
19734910 10.1038/nchembio.215 Plasmodium falciparum 7
2552117 10.1021/jm00130a020 Epidermal growth factor receptor 2
7902440 10.1021/jm00075a010 Tyrosine-protein kinase Lck 1
18262415 10.1016/j.bmcl.2008.01.081 Autoinducer 2-binding periplasmic protein LuxP 1
18262415 10.1016/j.bmcl.2008.01.081 Vibrio harveyi 1
17724020 10.1074/jbc.m705456200 Catechol O-methyltransferase 1
17724020 10.1074/jbc.m705456200 Unchecked 1
17417631 10.1038/nchembio873 Unchecked 1
23006064 10.1021/jm3008773 Tyrosyl-DNA phosphodiesterase 1 1
9354447 - Insulin-like growth factor 1 receptor 1

Data from ChEMBL 36 via Core Engine