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

CHEMBL475761

GW784684X
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
CN1CCN(Cc2ccc(-c3cc4ncnc(Nc5ccc(OCc6cccc(F)c6)c(Cl)c5)c4s3)o2)CC1

Basic Information

ChEMBL ID CHEMBL475761
Name GW784684X
Phase Preclinical
Structure Type MOL
InChI Key MFBTVPWNHQVGPL-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

564.1
MW (Da)
6.81
ALogP
8
HBA
1
HBD
66.7
PSA (Ų)
0.22
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H27ClFN5O2S
MW 564.09
Aromatic Rings 5
Heavy Atoms 39
NP-Likeness -1.82

Activity Summary

IC50 2 meas. best 8.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Epidermal growth factor receptor
CHEMBL203
IC50 8.3 8.3 5.0 1
Receptor tyrosine-protein kinase erbB-2
CHEMBL1824
IC50 6.6 6.6 250.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Epidermal growth factor receptor IC50 = 5.0 nM 8.3 Inhibition of EGFR 19111461
Receptor tyrosine-protein kinase erbB-2 IC50 = 250.0 nM 6.6 Inhibition of ErbB2 19111461

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL1961873 Tyrosine-protein kinase ABL1 28
- 10.6019/CHEMBL1961873 Epidermal growth factor receptor 20
- 10.6019/CHEMBL1961873 Mast/stem cell growth factor receptor Kit 16
- 10.6019/CHEMBL1961873 Platelet-derived growth factor receptor alpha 16
- 10.6019/CHEMBL1961873 Proto-oncogene tyrosine-protein kinase receptor Ret 12
- 10.6019/CHEMBL1961873 Serine/threonine-protein kinase B-raf 8
- 10.6019/CHEMBL1961873 Protein kinase C beta type 8
- 10.6019/CHEMBL1961873 Receptor-type tyrosine-protein kinase FLT3 8
- 10.6019/CHEMBL1961873 Cyclin-dependent kinase 2 8
- 10.6019/CHEMBL1961873 Tyrosine-protein kinase Lyn 8
- 10.6019/CHEMBL1961873 Leucine-rich repeat serine/threonine-protein kinase 2 8
- 10.6019/CHEMBL1961873 Rhodopsin kinase GRK7 4
- 10.6019/CHEMBL1961873 Serine/threonine-protein kinase MRCK alpha 4
- 10.6019/CHEMBL1961873 Serine/threonine-protein kinase MRCK beta 4
- 10.6019/CHEMBL1961873 Ribosomal protein S6 kinase alpha-5 4
- 10.6019/CHEMBL1961873 Ribosomal protein S6 kinase alpha-4 4
- 10.6019/CHEMBL1961873 Ribosomal protein S6 kinase beta-1 4
- 10.6019/CHEMBL1961873 RAC-beta serine/threonine-protein kinase 4
- 10.6019/CHEMBL1961873 RAC-alpha serine/threonine-protein kinase 4
- 10.6019/CHEMBL1961873 RAF proto-oncogene serine/threonine-protein kinase 4

Data from ChEMBL 36 via Core Engine