Compound Detail
CHEMBL194009
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Basic Information
| ChEMBL ID | CHEMBL194009 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NMCBWICNRJLKKM-UHFFFAOYSA-N |
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
200.2
MW (Da)
2.24
ALogP
3
HBA
1
HBD
48.1
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 4.0
Kd 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
| Leukotriene A-4 hydrolase CHEMBL4618 | IC50 | 3.51 | 3.36 | 308000.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 2.89 | 2.89 | 1300000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of human MAPK p38alpha | 20188577 |
| Leukotriene A-4 hydrolase | IC50 | = | 308000.0 | nM | 3.51 | Inhibition of peptidase activity of human recombinant LTA4H expressed in Escheri... | 19618939 |
| Leukotriene A-4 hydrolase | IC50 | = | 619000.0 | nM | 3.21 | Inhibition of hydrolase activity of human recombinant LTA4H expressed in Escheri... | 19618939 |
| Unchecked | IC50 | = | 1300000.0 | nM | 2.89 | Inhibition of mitogen-activated protein kinase p38 alpha | 15658855 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19618939 | 10.1021/jm900259h | Leukotriene A-4 hydrolase | 2 |
| 21699136 | 10.1021/jm200349b | Aurora kinase B | 1 |
| 23941661 | 10.1021/jm400378w | Mitogen-activated protein kinase 14 | 1 |
| 21699136 | 10.1021/jm200349b | Inhibitor of nuclear factor kappa-B kinase subunit beta | 1 |
| 21699136 | 10.1021/jm200349b | Insulin-like growth factor 1 receptor | 1 |
| 21699136 | 10.1021/jm200349b | Glycogen synthase kinase-3 beta | 1 |
| 21699136 | 10.1021/jm200349b | Tyrosine-protein kinase Fes/Fps | 1 |
| 21699136 | 10.1021/jm200349b | Focal adhesion kinase 1 | 1 |
| 21699136 | 10.1021/jm200349b | Receptor tyrosine-protein kinase erbB-4 | 1 |
| 21699136 | 10.1021/jm200349b | Receptor tyrosine-protein kinase erbB-2 | 1 |
| 21699136 | 10.1021/jm200349b | Epidermal growth factor receptor | 1 |
| 21699136 | 10.1021/jm200349b | Serine/threonine-protein kinase B-raf | 1 |
| 15658855 | 10.1021/jm049575n | Unchecked | 1 |
| 21699136 | 10.1021/jm200349b | Aurora kinase A | 1 |
| 21699136 | 10.1021/jm200349b | Mitogen-activated protein kinase kinase kinase 5 | 1 |
| 21699136 | 10.1021/jm200349b | RAC-beta serine/threonine-protein kinase | 1 |
| 21699136 | 10.1021/jm200349b | RAC-alpha serine/threonine-protein kinase | 1 |
| 20188577 | 10.1016/j.bmc.2010.01.070 | Mitogen-activated protein kinase 14 | 1 |
| 19618939 | 10.1021/jm900259h | No relevant target | 1 |
| 19618939 | 10.1021/jm900259h | Blood | 1 |
Data from ChEMBL 36 via Core Engine