Compound Detail
CHEMBL226850
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Basic Information
| ChEMBL ID | CHEMBL226850 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OZPLURSGGRWIKB-KRWDZBQOSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
413.4
MW (Da)
3.99
ALogP
5
HBA
2
HBD
89.7
PSA (Ų)
0.50
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.14
EC50 1 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 8.14 | 8.14 | 7.2 | 1 |
| cAMP-dependent protein kinase (PKA) CHEMBL2094138 | IC50 | 7.11 | 7.11 | 78.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 5.62 | 5.62 | 2390.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 7.2 | nM | 8.14 | Inhibition of human Akt1 | 17523610 |
| cAMP-dependent protein kinase (PKA) | IC50 | = | 78.0 | nM | 7.11 | Inhibition of PKA | 17523610 |
| NON-PROTEIN TARGET | EC50 | = | 2390.0 | nM | 5.62 | Cytotoxicity against human MIA PaCa cells by MTT assay | 17523610 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17523610 | 10.1021/jm0701019 | RAC-alpha serine/threonine-protein kinase | 1 |
| 17523610 | 10.1021/jm0701019 | cAMP-dependent protein kinase (PKA) | 1 |
| 17523610 | 10.1021/jm0701019 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine