Compound Detail
CHEMBL5074790
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Basic Information
| ChEMBL ID | CHEMBL5074790 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OMCQJTRDERMTMZ-SECBINFHSA-N |
1
Targets
4
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
419.4
MW (Da)
2.91
ALogP
9
HBA
2
HBD
113.6
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leucine-rich repeat serine/threonine-protein kinase 2 CHEMBL1075104 | IC50 | 6.45 | 6.28 | 358.0 | 4 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 33.33 | mL.min-1.kg-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leucine-rich repeat serine/threonine-protein kinase 2 | IC50 | = | 358.0 | nM | 6.45 | Inhibition of recombinant human GST tagged truncated LRRK2 G2019S mutant using f... | 34184879 |
| Leucine-rich repeat serine/threonine-protein kinase 2 | IC50 | = | 460.0 | nM | 6.34 | Inhibition of LRRK2-pSer935 in LRRK2 G2019S mutant expressing human HEK293 cells... | 34184879 |
| Leucine-rich repeat serine/threonine-protein kinase 2 | IC50 | = | 508.0 | nM | 6.29 | Inhibition of recombinant human LRRK2 WT using fluorescein-labeled LRRKtide as s... | 34184879 |
| Leucine-rich repeat serine/threonine-protein kinase 2 | IC50 | = | 910.0 | nM | 6.04 | Inhibition of LRRK2-pSer935 in LRRK2 WT expressing human HEK293 cells and measur... | 34184879 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34184879 | 10.1021/acs.jmedchem.1c00720 | Leucine-rich repeat serine/threonine-protein kinase 2 | 4 |
| 34184879 | 10.1021/acs.jmedchem.1c00720 | ADMET | 3 |
Data from ChEMBL 36 via Core Engine