Compound Detail
CHEMBL4800057
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Basic Information
| ChEMBL ID | CHEMBL4800057 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZMGUVTBINPLWRA-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
335.3
MW (Da)
3.95
ALogP
6
HBA
2
HBD
75.9
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase ULK1 CHEMBL6006 | IC50 | 7.72 | 6.855 | 19.0 | 2 |
| Serine/threonine-protein kinase ULK2 CHEMBL5435 | IC50 | 5.92 | 5.645 | 1193.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase ULK1 | IC50 | = | 19.0 | nM | 7.72 | Inhibition of recombinant human ULK1 (1-649) expressed in Sf9 cells using myelin... | 33200929 |
| Serine/threonine-protein kinase ULK1 | IC50 | = | 1021.0 | nM | 5.99 | Inhibition of ULK1 (unknown origin) expressed in HEK293T cells incubated for 2 h... | 33200929 |
| Serine/threonine-protein kinase ULK2 | IC50 | = | 1193.0 | nM | 5.92 | Inhibition of recombinant human ULK2 (1 to 478 residues) expressed in Sf9 cells ... | 33200929 |
| Serine/threonine-protein kinase ULK2 | IC50 | = | 4256.0 | nM | 5.37 | Inhibition of ULK2 (unknown origin) expressed in HEK293T cells incubated for 2 h... | 33200929 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33200929 | 10.1021/acs.jmedchem.0c00873 | Serine/threonine-protein kinase ULK1 | 4 |
| 33200929 | 10.1021/acs.jmedchem.0c00873 | ADMET | 3 |
| 33200929 | 10.1021/acs.jmedchem.0c00873 | Serine/threonine-protein kinase ULK2 | 2 |
Data from ChEMBL 36 via Core Engine