Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL365663

GW780159X
Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Nc1nc(-c2cccc(Cl)c2)c(-c2ccc3ncccc3n2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL365663
Name GW780159X
Phase Preclinical
Structure Type MOL
InChI Key JVXFJMXCRSAZFH-UHFFFAOYSA-N
3
Targets
8
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

338.8
MW (Da)
4.66
ALogP
5
HBA
1
HBD
64.7
PSA (Ų)
0.58
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 C17H11ClN4S
MW 338.82
Aromatic Rings 4
Heavy Atoms 23
NP-Likeness -1.67

Activity Summary

IC50 7 meas. best 8.52
EC50 1 meas. best 5.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 8.52 7.8 3.0 2
TGF-beta receptor type-1
CHEMBL4439
 IC50 8.0 7.918 10.0 5
Cryptosporidium parvum
CHEMBL612855
 EC50 5.26 5.26 5500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 3.0 nM 8.52 Inhibition of recombinant Cryptosporidium parvum FIKK using RRRAPSFYRK peptide a... 28162900
TGF-beta receptor type-1 IC50 = 10.0 nM 8.0 Inhibition of recombinant Activin A receptor type II-like kinase (ALK5) expresse... 15317461
TGF-beta receptor type-1 IC50 = 10.0 nM 8.0 Stimulation of Transforming growth factor beta receptor I kinase in HepG2 cells 15317461
TGF-beta receptor type-1 IC50 = 10.0 nM 8.0 Inhibition of TGFbeta-induced ALK5 in human HepG2 cells pretreated for 30 mins f... 28162900
TGF-beta receptor type-1 IC50 = 13.0 nM 7.89 Inhibition of TGFR1 19640613
TGF-beta receptor type-1 IC50 = 20.0 nM 7.7 Binding affinity to Activin A receptor type II-like kinase (ALK5) in fluorescenc... 15317461
Unchecked IC50 = 84.0 nM 7.08 Inhibition of Cryptosporidium parvum CDPK1 using PLARTLSVAGLPGKK peptide as subs... 28162900
Cryptosporidium parvum EC50 = 5500.0 nM 5.26 Antiparasitic activity against Cryptosporidium parvum Iowa oocysts infected in h... 28162900

Literature References

PubMed DOI Target Context # Activities
28162900 10.1016/j.bmc.2017.01.036 Unchecked 18
- 10.6019/CHEMBL1961873 Tyrosine-protein kinase ABL1 14
- 10.6019/CHEMBL1961873 Epidermal growth factor receptor 10
- 10.6019/CHEMBL1961873 Platelet-derived growth factor receptor alpha 8
- 10.6019/CHEMBL1961873 Mast/stem cell growth factor receptor Kit 8
- 10.6019/CHEMBL1961873 Proto-oncogene tyrosine-protein kinase receptor Ret 6
- 10.6019/CHEMBL1961873 Receptor-type tyrosine-protein kinase FLT3 4
- 10.6019/CHEMBL1961873 Tyrosine-protein kinase Lyn 4
- 10.6019/CHEMBL1961873 Leucine-rich repeat serine/threonine-protein kinase 2 4
- 10.6019/CHEMBL1961873 Protein kinase C beta type 4
- 10.6019/CHEMBL1961873 Serine/threonine-protein kinase B-raf 4
- 10.6019/CHEMBL1961873 Cyclin-dependent kinase 2 4
15317461 10.1021/jm0400247 TGF-beta receptor type-1 3
- 10.6019/CHEMBL1961873 RAC-gamma serine/threonine-protein kinase 2
- 10.6019/CHEMBL1961873 G protein-coupled receptor kinase 6 2
- 10.6019/CHEMBL1961873 Ribosomal protein S6 kinase alpha-4 2
- 10.6019/CHEMBL1961873 Ribosomal protein S6 kinase beta-1 2
- 10.6019/CHEMBL1961873 Serine/threonine-protein kinase D1 2
- 10.6019/CHEMBL1961873 cAMP-dependent protein kinase catalytic subunit alpha 2
- 10.6019/CHEMBL1961873 Serine/threonine-protein kinase D2 2

Data from ChEMBL 36 via Core Engine