Compound Detail
CHEMBL5193515
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CC(C)CN(CC(=O)NCCCCCCNC(=O)c1ccc(-c2n[nH]c3ccccc23)cc1)C(=O)CNC(=O)C1COc2ccccc2C1
Basic Information
| ChEMBL ID | CHEMBL5193515 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QYYMQRVJYZKVBE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
666.8
MW (Da)
4.49
ALogP
6
HBA
4
HBD
145.5
PSA (Ų)
0.13
QED
1
Ro5 Violations
16
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leucine-rich repeat serine/threonine-protein kinase 2 CHEMBL1075104 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| Mitogen-activated protein kinase 10 CHEMBL2637 | IC50 | 7.0 | 7.0 | 99.0 | 1 |
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 | = | 12.0 | nM | 7.92 | Inhibition of LRRK2 (unknown origin) | 35200035 |
| Mitogen-activated protein kinase 10 | IC50 | = | 99.0 | nM | 7.0 | Inhibition of JNK3 (unknown origin) | 35200035 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35200035 | 10.1021/acs.jmedchem.1c01947 | Mitogen-activated protein kinase 10 | 1 |
| 35200035 | 10.1021/acs.jmedchem.1c01947 | Leucine-rich repeat serine/threonine-protein kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine