Compound Detail
CHEMBL5571948
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Cc1cccc(-c2ccc(-c3cc4cnc(Nc5ccc(F)c(CO)c5)nc4n(CCCCN)c3=O)c(Cl)c2)n1
Basic Information
| ChEMBL ID | CHEMBL5571948 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IVOHEBHEHOPDOX-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
559.0
MW (Da)
5.60
ALogP
8
HBA
3
HBD
119.0
PSA (Ų)
0.20
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase 24 CHEMBL5082 | EC50 | 8.0 | 8.0 | 10.0 | 1 |
| Serine/threonine-protein kinase 26 CHEMBL5941 | EC50 | 7.36 | 7.36 | 44.0 | 1 |
| Serine/threonine-protein kinase SIK2 CHEMBL5699 | EC50 | 7.29 | 7.29 | 51.0 | 1 |
| Serine/threonine-protein kinase 3 CHEMBL4708 | EC50 | 6.74 | 6.74 | 184.0 | 1 |
| Serine/threonine-protein kinase 4 CHEMBL4598 | EC50 | 6.5 | 6.5 | 314.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase 24 | EC50 | = | 10.0 | nM | 8.0 | Inhibition of MST3 (unknown origin) expressed in lysed HEK293T cells using NanoG... | 38422480 |
| Serine/threonine-protein kinase 26 | EC50 | = | 44.0 | nM | 7.36 | Inhibition of MST4 (unknown origin) expressed in HEK293T cells using NanoGlo as ... | 38422480 |
| Serine/threonine-protein kinase SIK2 | EC50 | = | 51.0 | nM | 7.29 | Inhibition of SIK2 (unknown origin) expressed in HEK293T cells using NanoGlo as ... | 38422480 |
| Serine/threonine-protein kinase 3 | EC50 | = | 184.0 | nM | 6.74 | Inhibition of MST2 (unknown origin) expressed in HEK293T cells using NanoGlo as ... | 38422480 |
| Serine/threonine-protein kinase 4 | EC50 | = | 314.0 | nM | 6.5 | Inhibition of MST1 (unknown origin) expressed in HEK293T cells using NanoGlo as ... | 38422480 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38422480 | 10.1021/acs.jmedchem.3c02217 | Serine/threonine-protein kinase 24 | 3 |
| 38422480 | 10.1021/acs.jmedchem.3c02217 | Serine/threonine-protein kinase 4 | 2 |
| 38422480 | 10.1021/acs.jmedchem.3c02217 | Serine/threonine-protein kinase 3 | 2 |
| 38422480 | 10.1021/acs.jmedchem.3c02217 | Serine/threonine-protein kinase 26 | 2 |
| 38422480 | 10.1021/acs.jmedchem.3c02217 | Serine/threonine-protein kinase SIK2 | 1 |
| 38422480 | 10.1021/acs.jmedchem.3c02217 | Serine/threonine-protein kinase PAK 1 | 1 |
Data from ChEMBL 36 via Core Engine