Compound Detail
CHEMBL263512
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N#CCn1c(O)nc2cc(N[C@H](COc3cncc(-c4ccc5c(c4)nc(O)n5CC#N)c3)Cc3c[nH]c4ccccc34)ccc21
Basic Information
| ChEMBL ID | CHEMBL263512 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CZTOFPMYMCZRFR-VWLOTQADSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
609.6
MW (Da)
5.49
ALogP
11
HBA
4
HBD
173.6
PSA (Ų)
0.16
QED
3
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 4.68 | 4.68 | 20700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 20700.0 | nM | 4.68 | Inhibition of AKT1 in presence of 5 uM ATP | 16644221 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16644221 | 10.1016/j.bmcl.2006.04.005 | F5.12 | 1 |
| 16644221 | 10.1016/j.bmcl.2006.04.005 | RAC-alpha serine/threonine-protein kinase | 1 |
Data from ChEMBL 36 via Core Engine