Compound Detail
CHEMBL5282072
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Basic Information
| ChEMBL ID | CHEMBL5282072 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZHHNQRZGMYWFNK-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
293.3
MW (Da)
1.52
ALogP
6
HBA
2
HBD
89.8
PSA (Ų)
0.66
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tau-tubulin kinase 1 CHEMBL1926492 | IC50 | 8.01 | 7.475 | 9.8 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 19.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 42.0 | mL.min-1.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tau-tubulin kinase 1 | IC50 | = | 9.8 | nM | 8.01 | Inhibition of GST-tagged TTBK1 (1 to 421) (unknown origin) using DNA Topoisomera... | 33944571 |
| Tau-tubulin kinase 1 | IC50 | = | 114.0 | nM | 6.94 | Inhibition of TTBK1 in human HEK293T cells incubated for 1 hrs by HTRF assay | 33944571 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33944571 | 10.1021/acs.jmedchem.1c00382 | ADMET | 4 |
| 33944571 | 10.1021/acs.jmedchem.1c00382 | Tau-tubulin kinase 1 | 2 |
| 33944571 | 10.1021/acs.jmedchem.1c00382 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine