Compound Detail
CHEMBL429703
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c1ccc(-c2cc(C3CCN(Cc4ccc(-c5nc6ncccc6cc5-c5ccccc5)cc4)CC3)n[nH]2)cc1
Basic Information
| ChEMBL ID | CHEMBL429703 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PTXPTLPZSUXRMX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
521.7
MW (Da)
7.73
ALogP
4
HBA
1
HBD
57.7
PSA (Ų)
0.24
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 6.33 | 6.33 | 470.0 | 1 |
| RAC-beta serine/threonine-protein kinase CHEMBL2431 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 470.0 | nM | 6.33 | Inhibition of Akt1 | 18479914 |
| RAC-beta serine/threonine-protein kinase | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of Akt2 | 18479914 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18479914 | 10.1016/j.bmcl.2008.04.074 | Unchecked | 3 |
| 18479914 | 10.1016/j.bmcl.2008.04.074 | RAC-alpha serine/threonine-protein kinase | 2 |
| 18479914 | 10.1016/j.bmcl.2008.04.074 | RAC-beta serine/threonine-protein kinase | 2 |
Data from ChEMBL 36 via Core Engine