Compound Detail
CHEMBL4848180
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C=CC(=O)Nc1cccc(N2C(=O)OC(CCC)c3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)c1
Basic Information
| ChEMBL ID | CHEMBL4848180 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MQZBLZVGUYLAGL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
557.7
MW (Da)
5.23
ALogP
9
HBA
2
HBD
112.2
PSA (Ų)
0.34
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ribosomal protein S6 kinase alpha-6 CHEMBL4924 | IC50 | 4.98 | 4.98 | 10567.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ribosomal protein S6 kinase alpha-6 | IC50 | = | 10567.0 | nM | 4.98 | Inhibition of RSK4 (unknown origin) incubated for 40 mins in presence of ATP and... | 34496560 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34496560 | 10.1021/acs.jmedchem.1c00969 | Ribosomal protein S6 kinase alpha-6 | 1 |
Data from ChEMBL 36 via Core Engine