Compound Detail
CHEMBL143307
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Basic Information
| ChEMBL ID | CHEMBL143307 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LXTFKKVJJMDQNR-UHFFFAOYSA-N |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
290.3
MW (Da)
3.83
ALogP
3
HBA
1
HBD
54.5
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 7.28 | 7.28 | 53.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.57 | 5.01 | 2700.0 | 4 |
| Sensor protein kinase WalK CHEMBL4295968 | IC50 | 4.03 | 4.03 | 93300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 53.0 | nM | 7.28 | In vitro inhibitory concentration against Mitogen-activated protein kinase p38 a... | 14561090 |
| Unchecked | IC50 | = | 2700.0 | nM | 5.57 | Inhibition of ADP-BODIPY binding to Thermotoga maritima HK853 after day 1 by flu... | 29706527 |
| Unchecked | IC50 | = | 6260.0 | nM | 5.2 | Inhibition of ADP-BODIPY binding to Thermotoga maritima HK853 after day 2 by flu... | 29706527 |
| Unchecked | IC50 | = | 22500.0 | nM | 4.65 | Inhibition of ADP-BODIPY binding to Thermotoga maritima HK853 in presence of Tri... | 29706527 |
| Unchecked | IC50 | = | 23700.0 | nM | 4.62 | Inhibition of ADP-BODIPY binding to Thermotoga maritima HK853 by fluorescence po... | 29706527 |
| Sensor protein kinase WalK | IC50 | = | 93300.0 | nM | 4.03 | Inhibition of Streptococcus pneumoniae VicK autophosphorylation using compound a... | 29706527 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29706527 | 10.1016/j.bmc.2018.04.047 | Unchecked | 6 |
| 14561090 | 10.1021/jm0301787 | Mitogen-activated protein kinase 14 | 2 |
| 29706527 | 10.1016/j.bmc.2018.04.047 | Staphylococcus aureus | 2 |
| 29706527 | 10.1016/j.bmc.2018.04.047 | Pseudomonas aeruginosa | 2 |
| 29706527 | 10.1016/j.bmc.2018.04.047 | Sensor protein kinase WalK | 1 |
Data from ChEMBL 36 via Core Engine