Compound Detail
CHEMBL1836358
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Basic Information
| ChEMBL ID | CHEMBL1836358 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UWAHPYYKKCDGEN-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
201.2
MW (Da)
2.43
ALogP
4
HBA
1
HBD
51.8
PSA (Ų)
0.61
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.1 | 6.1 | 790.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL5508 | IC50 | 5.29 | 5.29 | 5100.0 | 1 |
| Cyclin-dependent kinase 5/CDK5 activator 1 CHEMBL1907600 | IC50 | 5.28 | 5.28 | 5200.0 | 1 |
| LIM domain kinase 1 CHEMBL3836 | IC50 | 5.16 | 5.16 | 7000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 790.0 | nM | 6.1 | Inhibition of pig CK1delta/epsilon isolated from brain using RRKHAAIGpSAYSITA as... | 23124214 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 5100.0 | nM | 5.29 | Inhibition of rat recombinant GST-tagged DYRK1A expressed in Escherichia coli us... | 23124214 |
| Cyclin-dependent kinase 5/CDK5 activator 1 | IC50 | = | 5200.0 | nM | 5.28 | Inhibition of human recombinant GST-tagged CDK5/p25 expressed in Escherichia col... | 23124214 |
| LIM domain kinase 1 | IC50 | = | 7000.0 | nM | 5.16 | Inhibition of LIMK1 using cofilin-2 as substrate after 60 mins by Kinase-Glo ass... | 21852129 |
| LIM domain kinase 1 | IC50 | = | 7000.0 | nM | 5.16 | Inhibition of LIMK1 (unknown origin) using cofilin-2 as substrate after 60 mins ... | - |
| LIM domain kinase 1 | IC50 | = | 7000.0 | nM | 5.16 | Inhibition of LIMK1 (unknown origin) assessed as remaining ATP level using cofil... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21852129 | 10.1016/j.bmcl.2011.07.050 | LIM domain kinase 1 | 1 |
| 23124214 | 10.1016/j.ejmech.2012.10.006 | Cyclin-dependent kinase 5/CDK5 activator 1 | 1 |
| 23124214 | 10.1016/j.ejmech.2012.10.006 | Glycogen synthase kinase-3 | 1 |
| 23124214 | 10.1016/j.ejmech.2012.10.006 | Unchecked | 1 |
| 23124214 | 10.1016/j.ejmech.2012.10.006 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 1 |
| 23124214 | 10.1016/j.ejmech.2012.10.006 | Dual specificity protein kinase CLK1 | 1 |
| - | 10.1039/C1MD00137J | LIM domain kinase 1 | 1 |
| - | 10.1039/C1MD00138H | LIM domain kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine