Compound Detail
CHEMBL1673042
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Basic Information
| ChEMBL ID | CHEMBL1673042 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HGHFBVBNHYJNHK-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
445.5
MW (Da)
3.00
ALogP
8
HBA
2
HBD
85.9
PSA (Ų)
0.63
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 7 CHEMBL5332 | IC50 | 8.0 | 7.32 | 10.1 | 2 |
| Leucine-rich repeat serine/threonine-protein kinase 2 CHEMBL1075104 | IC50 | 7.64 | 7.64 | 23.0 | 1 |
| Serine/threonine-protein kinase DCLK1 CHEMBL5683 | IC50 | 7.28 | 7.28 | 52.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 7 | IC50 | = | 10.1 | nM | 8.0 | Inhibition of ERK5 (unknown origin) by ADP-Glo kinase assay | 37751283 |
| Leucine-rich repeat serine/threonine-protein kinase 2 | IC50 | = | 23.0 | nM | 7.64 | Inhibition of recombinant human GST-tagged LRRK2 catalytic domain (970 to 2527 r... | 32530623 |
| Serine/threonine-protein kinase DCLK1 | IC50 | = | 52.0 | nM | 7.28 | Inhibition of recombinant human N-terminal His6-tagged DCLK1 (G351 to H689 resid... | 32530623 |
| Mitogen-activated protein kinase 7 | IC50 | = | 230.0 | nM | 6.64 | Inhibition of EGF-induced BMK1 autophosphorylation in human HeLa cells by SDS-PA... | 21412406 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21412406 | 10.1021/ml100304b | Mitogen-activated protein kinase 7 | 2 |
| 32530623 | 10.1021/acs.jmedchem.0c00596 | Serine/threonine-protein kinase DCLK1 | 1 |
| 32530623 | 10.1021/acs.jmedchem.0c00596 | Mitogen-activated protein kinase 7 | 1 |
| 32530623 | 10.1021/acs.jmedchem.0c00596 | Leucine-rich repeat serine/threonine-protein kinase 2 | 1 |
| 37751283 | 10.1021/acs.jmedchem.3c00864 | Mitogen-activated protein kinase 7 | 1 |
Data from ChEMBL 36 via Core Engine