Compound Detail
CHEMBL2436979
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Basic Information
| ChEMBL ID | CHEMBL2436979 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NMMATNQHSAAIGY-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
417.4
MW (Da)
3.28
ALogP
7
HBA
2
HBD
107.0
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 11 CHEMBL2708 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Leucine-rich repeat serine/threonine-protein kinase 2 CHEMBL1075104 | IC50 | 5.53 | 5.53 | 2970.0 | 1 |
| Mitogen-activated protein kinase kinase kinase 11 CHEMBL2434817 | IC50 | 4.63 | 4.63 | 23600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 11 | IC50 | = | 40.0 | nM | 7.4 | Inhibition of MLK3 (unknown origin) after 20 mins by scintillation counting anal... | 24044867 |
| Leucine-rich repeat serine/threonine-protein kinase 2 | IC50 | = | 2970.0 | nM | 5.53 | Inhibition of human wild type LRRK2 by qPCR analysis | 24044867 |
| Mitogen-activated protein kinase kinase kinase 11 | IC50 | = | 23600.0 | nM | 4.63 | Inhibition of MLK3 in mouse BV2 cells assessed as inhibition of LPS-induced TNFa... | 24044867 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24044867 | 10.1021/jm401094t | Mitogen-activated protein kinase kinase kinase 11 | 2 |
| 24044867 | 10.1021/jm401094t | Leucine-rich repeat serine/threonine-protein kinase 2 | 1 |
| 24044867 | 10.1021/jm401094t | Receptor-type tyrosine-protein kinase FLT3 | 1 |
Data from ChEMBL 36 via Core Engine