Compound Detail
CHEMBL112172
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Basic Information
| ChEMBL ID | CHEMBL112172 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GAUQBXYKJDLZPM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
436.5
MW (Da)
3.11
ALogP
9
HBA
2
HBD
93.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase ZAP-70 CHEMBL2803 | IC50 | 7.51 | 7.51 | 31.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase ZAP-70 | IC50 | = | 31.0 | nM | 7.51 | Inhibition of Zeta-chain (TCR) associated protein kinase 70 kDa phosphorylation ... | 10612598 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10612598 | 10.1016/s0960-894x(99)00615-0 | Tyrosine-protein kinase ZAP-70 | 1 |
Data from ChEMBL 36 via Core Engine