Compound Detail
CHEMBL5592487
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
CO[C@H]1CN(c2ccncc2NC(=O)c2nc(-c3ncccc3OC(F)(F)F)cnc2N)CC[C@@H]1N
Basic Information
| ChEMBL ID | CHEMBL5592487 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FEFAAFLIBQXOAO-SJCJKPOMSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
504.5
MW (Da)
2.22
ALogP
10
HBA
3
HBD
154.4
PSA (Ų)
0.46
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C alpha type CHEMBL299 | IC50 | 9.7 | 9.7 | 0.2 | 1 |
| Protein kinase C theta type CHEMBL3920 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C alpha type | IC50 | = | 0.2 | nM | 9.7 | Inhibition of PKCalpha (unknown origin) incubated for 15 mins in presence of 33P... | 38198520 |
| Protein kinase C theta type | IC50 | = | 2.0 | nM | 8.7 | Inhibition of PKCtheta (unknown origin) incubated for 15 mins in presence of 33P... | 38198520 |
| Unchecked | IC50 | = | 140.0 | nM | 6.85 | Antiproliferative activity against human 92-1 cells incubated for 72 hrs by micr... | 38198520 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38198520 | 10.1021/acs.jmedchem.3c02002 | Protein kinase C alpha type | 1 |
| 38198520 | 10.1021/acs.jmedchem.3c02002 | Protein kinase C theta type | 1 |
| 38198520 | 10.1021/acs.jmedchem.3c02002 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine