Compound Detail
CHEMBL402579
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Cc1nc2ccccc2n1C1CCN(Cc2ccc(-c3nc4ncnc(N)c4cc3-c3ccccc3)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL402579 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XZZVNLYLIJCASD-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
525.7
MW (Da)
6.44
ALogP
7
HBA
1
HBD
85.8
PSA (Ų)
0.28
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 7.16 | 6.91 | 69.0 | 2 |
| RAC-beta serine/threonine-protein kinase CHEMBL2431 | IC50 | 6.55 | 6.505 | 281.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 69.0 | nM | 7.16 | Inhibition of human recombinant Akt1 | 18296048 |
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 221.0 | nM | 6.66 | Inhibition of Akt1 phosphorylation in human C33a cells | 18296048 |
| RAC-beta serine/threonine-protein kinase | IC50 | = | 281.0 | nM | 6.55 | Inhibition of human recombinant Akt2 | 18296048 |
| RAC-beta serine/threonine-protein kinase | IC50 | = | 344.0 | nM | 6.46 | Inhibition of Akt2 phosphorylation in human C33a cells | 18296048 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18296048 | 10.1016/j.bmcl.2007.10.023 | RAC-alpha serine/threonine-protein kinase | 2 |
| 18296048 | 10.1016/j.bmcl.2007.10.023 | RAC-beta serine/threonine-protein kinase | 2 |
Data from ChEMBL 36 via Core Engine