Compound Detail
CHEMBL3953878
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Basic Information
| ChEMBL ID | CHEMBL3953878 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YXVKCDFTJDTHCC-LBPRGKRZSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
411.3
MW (Da)
3.43
ALogP
5
HBA
2
HBD
86.1
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| RAC-gamma serine/threonine-protein kinase CHEMBL4816 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| RAC-beta serine/threonine-protein kinase CHEMBL2431 | IC50 | 7.8 | 7.8 | 15.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 1.0 | nM | 9.0 | Inhibition of full length human AKT1 expressed in Sf9 cells assessed as reductio... | - |
| RAC-gamma serine/threonine-protein kinase | IC50 | = | 3.981 | nM | 8.4 | Inhibition of full length human AKT3 expressed in Sf9 cells assessed as reductio... | - |
| RAC-beta serine/threonine-protein kinase | IC50 | = | 15.85 | nM | 7.8 | Inhibition of full length human AKT2 expressed in Sf9 cells assessed as reductio... | - |
Data from ChEMBL 36 via Core Engine