Compound Detail
CHEMBL178872
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c1ccc(-c2cc(-c3nn[nH]n3)cnc2-c2ccc(CN3CCC(c4nc5ccccc5[nH]4)CC3)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL178872 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HYOQFFBLOLYSDU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
512.6
MW (Da)
5.85
ALogP
6
HBA
2
HBD
99.3
PSA (Ų)
0.29
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.82 | 5.82 | 1501.0 | 1 |
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 5.48 | 5.48 | 3323.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1501.0 | nM | 5.82 | Inhibitory concentration against Akt2 kinase | 15686884 |
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 3323.0 | nM | 5.48 | Inhibitory concentration against Akt1 kinase | 15686884 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15686884 | 10.1016/j.bmcl.2004.12.062 | RAC-alpha serine/threonine-protein kinase | 1 |
| 15686884 | 10.1016/j.bmcl.2004.12.062 | Unchecked | 1 |
| 15686884 | 10.1016/j.bmcl.2004.12.062 | RAC-beta serine/threonine-protein kinase | 1 |
Data from ChEMBL 36 via Core Engine