Compound Detail
CHEMBL3099613
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Basic Information
| ChEMBL ID | CHEMBL3099613 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | INGIVWOHAHWXAJ-VMPITWQZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
176.2
MW (Da)
2.07
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 50000.0 | nM | 4.3 | Inhibition of recombinant AKT1 (unknown origin) using serine/threonine 06 peptid... | 24321345 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24321345 | 10.1016/j.bmcl.2013.11.020 | cAMP-dependent protein kinase catalytic subunit alpha | 1 |
| 24321345 | 10.1016/j.bmcl.2013.11.020 | RAC-alpha serine/threonine-protein kinase | 1 |
Data from ChEMBL 36 via Core Engine