Compound Detail
CHEMBL4127042
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Basic Information
| ChEMBL ID | CHEMBL4127042 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LMPCYUMUDIOPBH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
433.6
MW (Da)
4.25
ALogP
6
HBA
4
HBD
89.0
PSA (Ų)
0.27
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase ULK2 CHEMBL5435 | IC50 | 7.42 | 7.42 | 38.0 | 1 |
| Serine/threonine-protein kinase ULK1 CHEMBL6006 | IC50 | 7.35 | 7.35 | 45.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase ULK2 | IC50 | = | 38.0 | nM | 7.42 | Inhibition of GST-tagged ULK2 (unknown origin) | 29509411 |
| Serine/threonine-protein kinase ULK1 | IC50 | = | 45.0 | nM | 7.35 | Inhibition of GST-tagged ULK1 (unknown origin) | 29509411 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29509411 | 10.1021/acs.jmedchem.7b01684 | Serine/threonine-protein kinase ULK1 | 1 |
| 29509411 | 10.1021/acs.jmedchem.7b01684 | Serine/threonine-protein kinase ULK2 | 1 |
Data from ChEMBL 36 via Core Engine