Compound Detail
CHEMBL1673056
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Basic Information
| ChEMBL ID | CHEMBL1673056 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VHGSQSKYNALGRI-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
494.0
MW (Da)
3.99
ALogP
8
HBA
1
HBD
77.1
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.91
EC50 1 meas. best 4.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 7 CHEMBL5332 | IC50 | 5.91 | 5.7033 | 1240.0 | 3 |
| Leucine-rich repeat serine/threonine-protein kinase 2 CHEMBL1075104 | IC50 | 5.88 | 5.44 | 1330.0 | 2 |
| Mitogen-activated protein kinase 7 CHEMBL5332 | EC50 | 4.94 | 4.94 | 11380.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 7 | IC50 | = | 1240.0 | nM | 5.91 | Inhibition of EGF-induced BMK1 autophosphorylation in human HeLa cells by SDS-PA... | 21412406 |
| Mitogen-activated protein kinase 7 | IC50 | = | 1240.0 | nM | 5.91 | Inhibition of ERK5 in human HeLa cells assessed as reduction in EGF-induced ERK5... | 32530623 |
| Leucine-rich repeat serine/threonine-protein kinase 2 | IC50 | = | 1330.0 | nM | 5.88 | Inhibition of recombinant human GST-tagged LRRK2 catalytic domain (970 to 2527 r... | 32530623 |
| Mitogen-activated protein kinase 7 | IC50 | = | 5090.0 | nM | 5.29 | Inhibition of N-terminal 6His-tagged human ERK5 expressed in baculovirus infecte... | 24239623 |
| Leucine-rich repeat serine/threonine-protein kinase 2 | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of LRRK2 G2019S mutant (unknown origin) using LRRKtide as substrate i... | 24239623 |
| Mitogen-activated protein kinase 7 | EC50 | = | 11380.0 | nM | 4.94 | Inhibition of EGF-stimulated ERK5 autophosphorylation in human HeLa cells preinc... | 24239623 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21412406 | 10.1021/ml100304b | Mitogen-activated protein kinase 7 | 2 |
| 32530623 | 10.1021/acs.jmedchem.0c00596 | Mitogen-activated protein kinase 7 | 2 |
| 24239623 | 10.1016/j.ejmech.2013.10.052 | Mitogen-activated protein kinase 7 | 2 |
| 32530623 | 10.1021/acs.jmedchem.0c00596 | Serine/threonine-protein kinase DCLK1 | 1 |
| 32530623 | 10.1021/acs.jmedchem.0c00596 | Leucine-rich repeat serine/threonine-protein kinase 2 | 1 |
| 24239623 | 10.1016/j.ejmech.2013.10.052 | Leucine-rich repeat serine/threonine-protein kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine