Compound Detail
CHEMBL5282902
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Basic Information
| ChEMBL ID | CHEMBL5282902 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GRSNWUGFAXKMQP-SFHVURJKSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
321.4
MW (Da)
2.22
ALogP
6
HBA
2
HBD
89.8
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tau-tubulin kinase 1 CHEMBL1926492 | IC50 | 7.7 | 7.175 | 20.0 | 2 |
| HepG2 CHEMBL395 | IC50 | 5.5 | 5.46 | 3200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tau-tubulin kinase 1 | IC50 | = | 20.0 | nM | 7.7 | Inhibition of GST-tagged TTBK1 (1 to 421) (unknown origin) using DNA Topoisomera... | 33944571 |
| Tau-tubulin kinase 1 | IC50 | = | 224.0 | nM | 6.65 | Inhibition of TTBK1 in human HEK293T cells incubated for 1 hrs by HTRF assay | 33944571 |
| HepG2 | IC50 | = | 3200.0 | nM | 5.5 | Cytotoxicity against human HepG2 cells in glucose containing media incubated for... | 33944571 |
| HepG2 | IC50 | = | 3800.0 | nM | 5.42 | Cytotoxicity against human HepG2 cells in galactose containing media incubated f... | 33944571 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33944571 | 10.1021/acs.jmedchem.1c00382 | Tau-tubulin kinase 1 | 2 |
| 33944571 | 10.1021/acs.jmedchem.1c00382 | ADMET | 2 |
| 33944571 | 10.1021/acs.jmedchem.1c00382 | HepG2 | 2 |
Data from ChEMBL 36 via Core Engine