Compound Detail
CHEMBL401999
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Nc1nc(N)c2cc(-c3ccccc3)c(-c3ccc(CN4CCC(n5c(=O)[nH]c6ccccc65)CC4)cc3)nc2n1
Basic Information
| ChEMBL ID | CHEMBL401999 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MMAPPCKCHYYOBX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
542.6
MW (Da)
5.00
ALogP
8
HBA
3
HBD
131.7
PSA (Ų)
0.28
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 6.97 | 6.97 | 107.0 | 1 |
| RAC-beta serine/threonine-protein kinase CHEMBL2431 | IC50 | 6.56 | 6.56 | 274.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 107.0 | nM | 6.97 | Inhibition of human recombinant Akt1 | 18296048 |
| RAC-beta serine/threonine-protein kinase | IC50 | = | 274.0 | nM | 6.56 | Inhibition of human recombinant Akt2 | 18296048 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18296048 | 10.1016/j.bmcl.2007.10.023 | RAC-alpha serine/threonine-protein kinase | 1 |
| 18296048 | 10.1016/j.bmcl.2007.10.023 | RAC-beta serine/threonine-protein kinase | 1 |
Data from ChEMBL 36 via Core Engine