Compound Detail
CHEMBL1794065
GSK-554170A Enter ChEMBL ID:
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CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC3CCNCC3)c21.O=C(O)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL1794065 |
| Name | GSK-554170A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JZMFBTBVTPAGEQ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL521658 |
| Active Moiety | CHEMBL521658 |
7
Targets
8
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
425.5
MW (Da)
1.58
ALogP
10
HBA
3
HBD
137.1
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAC-beta serine/threonine-protein kinase CHEMBL2431 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 8.0 | 6.84 | 10.0 | 2 |
| RAC-gamma serine/threonine-protein kinase CHEMBL4816 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| LNCaP CHEMBL612518 | IC50 | 6.66 | 6.66 | 220.0 | 1 |
| BT-474 CHEMBL614529 | IC50 | 6.42 | 6.42 | 380.0 | 1 |
| Ribosomal protein S6 kinase alpha-1 CHEMBL2553 | IC50 | 5.6 | 5.6 | 2510.0 | 1 |
| Rho-associated protein kinase 1 CHEMBL3231 | IC50 | 5.6 | 5.6 | 2510.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAC-beta serine/threonine-protein kinase | IC50 | = | 8.0 | nM | 8.1 | Inhibition of human AKT2 | 18800763 |
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 10.0 | nM | 8.0 | Inhibition of human AKT1 | 18800763 |
| RAC-gamma serine/threonine-protein kinase | IC50 | = | 40.0 | nM | 7.4 | Inhibition of human AKT3 | 18800763 |
| LNCaP | IC50 | = | 220.0 | nM | 6.66 | Antiproliferative activity against human LNCaP cells | 18800763 |
| BT-474 | IC50 | = | 380.0 | nM | 6.42 | Antiproliferative activity against human BT474 cells | 18800763 |
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 2100.0 | nM | 5.68 | Inhibition of AKT-mediated GSK3-beta phosphorylation in human BT474 cells | 18800763 |
| Rho-associated protein kinase 1 | IC50 | = | 2510.0 | nM | 5.6 | Inhibition of human recombinant ROCK1 expressed in Sf9 cells | 18800763 |
| Ribosomal protein S6 kinase alpha-1 | IC50 | = | 2510.0 | nM | 5.6 | Inhibition of RSK1 | 18800763 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 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 | Leucine-rich repeat serine/threonine-protein kinase 2 | 4 |
| - | 10.6019/CHEMBL1961873 | Cyclin-dependent 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 | Receptor-type tyrosine-protein kinase FLT3 | 4 |
| - | 10.6019/CHEMBL1961873 | Tyrosine-protein kinase Lyn | 4 |
| - | 10.6019/CHEMBL1961873 | RAC-gamma serine/threonine-protein kinase | 2 |
| - | 10.6019/CHEMBL1961873 | cAMP-dependent protein kinase catalytic subunit alpha | 2 |
| - | 10.6019/CHEMBL1961873 | Serine/threonine-protein kinase MRCK beta | 2 |
| - | 10.6019/CHEMBL1961873 | Serine/threonine-protein kinase MRCK alpha | 2 |
| - | 10.6019/CHEMBL1961873 | Rhodopsin kinase GRK7 | 2 |
| - | 10.6019/CHEMBL1961873 | G protein-coupled receptor kinase 6 | 2 |
| - | 10.6019/CHEMBL2007661 | Serine/threonine-protein kinase TBK1 | 2 |
| - | 10.6019/CHEMBL1961873 | Serine/threonine-protein kinase D1 | 2 |
| - | 10.6019/CHEMBL1961873 | Protein kinase C theta type | 2 |
Data from ChEMBL 36 via Core Engine