Compound Detail
CHEMBL288064
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Basic Information
| ChEMBL ID | CHEMBL288064 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZRHRPGSSSVYBRG-UHFFFAOYSA-N |
5
Targets
8
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
395.2
MW (Da)
4.03
ALogP
5
HBA
0
HBD
51.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 6.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 6.41 | 6.3325 | 390.0 | 4 |
| Glycogen synthase kinase-3 alpha CHEMBL2850 | IC50 | 6.41 | 6.41 | 390.0 | 1 |
| Fibroblast CHEMBL613838 | IC50 | 6.2 | 6.2 | 625.0 | 1 |
| Glycogen synthase kinase-3 CHEMBL2095188 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
| Cyclin-dependent kinase 1/cyclin B CHEMBL2094127 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 390.0 | nM | 6.41 | Inhibitory concentration against human Glycogen synthase kinase-3 | 12031334 |
| Glycogen synthase kinase-3 beta | IC50 | = | 390.0 | nM | 6.41 | Inhibition of GSK3-beta | 15559249 |
| Glycogen synthase kinase-3 alpha | IC50 | = | 390.0 | nM | 6.41 | Inhibition of human recombinant GSK3alpha | 22533818 |
| Glycogen synthase kinase-3 beta | IC50 | = | 390.0 | nM | 6.41 | Inhibition of GSK3beta (unknown origin) | 24560539 |
| Fibroblast | IC50 | = | 625.0 | nM | 6.2 | Inhibition of human SOD1 expressed in mouse fibroblasts after 48 hrs by ELISA re... | 24560539 |
| Glycogen synthase kinase-3 beta | IC50 | = | 790.0 | nM | 6.1 | Inhibition of human recombinant GSK3beta using pIRS-1 as substrate preincubated ... | 22533818 |
| Glycogen synthase kinase-3 | IC50 | = | 8000.0 | nM | 5.1 | Inhibition of GSK3alpha/beta | 15559249 |
| Cyclin-dependent kinase 1/cyclin B | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of CDK1/cyclinB | 15559249 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23398362 | 10.1042/bj20121418 | Tyrosine-protein kinase HCK | 4 |
| 23398362 | 10.1042/bj20121418 | Serine/threonine-protein kinase mTOR | 4 |
| 23398362 | 10.1042/bj20121418 | Insulin-like growth factor 1 receptor | 4 |
| 24560539 | 10.1016/j.bmcl.2014.01.078 | Mus musculus | 4 |
| 23398362 | 10.1042/bj20121418 | Cyclin-dependent kinase 5/CDK5 activator 1 | 4 |
| 23398362 | 10.1042/bj20121418 | Tyrosine-protein kinase Lck | 4 |
| 23398362 | 10.1042/bj20121418 | Protein kinase C beta type | 4 |
| 23398362 | 10.1042/bj20121418 | Insulin receptor | 4 |
| 23398362 | 10.1042/bj20121418 | cGMP-dependent protein kinase 1 | 4 |
| 24560539 | 10.1016/j.bmcl.2014.01.078 | Fibroblast | 3 |
| 23398362 | 10.1042/bj20121418 | Serine/threonine-protein kinase Nek6 | 2 |
| 23398362 | 10.1042/bj20121418 | Tyrosine-protein kinase Fyn | 2 |
| 23398362 | 10.1042/bj20121418 | Casein kinase I isoform gamma-3 | 2 |
| 23398362 | 10.1042/bj20121418 | Cyclin-dependent kinase 2/cyclin A | 2 |
| 23398362 | 10.1042/bj20121418 | Tyrosine-protein kinase ABL2 | 2 |
| 23398362 | 10.1042/bj20121418 | Serine/threonine-protein kinase Nek7 | 2 |
| 23398362 | 10.1042/bj20121418 | SRSF protein kinase 3 | 2 |
| 23398362 | 10.1042/bj20121418 | Cyclin-dependent kinase 2/cyclin E | 2 |
| 23398362 | 10.1042/bj20121418 | Aurora kinase A | 2 |
| 23398362 | 10.1042/bj20121418 | Casein kinase I isoform delta | 2 |
Data from ChEMBL 36 via Core Engine