Compound Detail
CHEMBL5091582
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Basic Information
| ChEMBL ID | CHEMBL5091582 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZJECJFJNVHNEPD-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
366.4
MW (Da)
2.67
ALogP
7
HBA
3
HBD
96.3
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Myosin light chain kinase 2, skeletal/cardiac muscle CHEMBL2777 | IC50 | 6.32 | 5.875 | 479.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Myosin light chain kinase 2, skeletal/cardiac muscle | IC50 | = | 479.0 | nM | 6.32 | Inhibition of full length recombinant human MYLK2 using KKLNRTLSFAEPG as substra... | 34333981 |
| Myosin light chain kinase 2, skeletal/cardiac muscle | IC50 | = | 3670.0 | nM | 5.43 | Inhibition of NanoLuc-fused MYLK2 (unknown origin) expressed in HEK293 cells inc... | 34333981 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34333981 | 10.1021/acs.jmedchem.1c00440 | Myosin light chain kinase 2, skeletal/cardiac muscle | 2 |
| 34333981 | 10.1021/acs.jmedchem.1c00440 | Serine/threonine-protein kinase 17A | 1 |
| 34333981 | 10.1021/acs.jmedchem.1c00440 | MAP/microtubule affinity-regulating kinase 3 | 1 |
| 34333981 | 10.1021/acs.jmedchem.1c00440 | MAP/microtubule affinity-regulating kinase 4 | 1 |
| 34333981 | 10.1021/acs.jmedchem.1c00440 | Serine/threonine-protein kinase TBK1 | 1 |
| 34333981 | 10.1021/acs.jmedchem.1c00440 | No relevant target | 1 |
| 34333981 | 10.1021/acs.jmedchem.1c00440 | ADMET | 1 |
| 34333981 | 10.1021/acs.jmedchem.1c00440 | Serine/threonine-protein kinase 17B | 1 |
Data from ChEMBL 36 via Core Engine