Compound Detail
CHEMBL3261096
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Basic Information
| ChEMBL ID | CHEMBL3261096 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HMSOXHQGIBFTQM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
450.5
MW (Da)
4.27
ALogP
8
HBA
1
HBD
96.7
PSA (Ų)
0.40
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| TGF-beta receptor type-1 CHEMBL4439 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 5.29 | 5.29 | 5110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TGF-beta receptor type-1 | IC50 | = | 18.0 | nM | 7.75 | Inhibition of GST-fused recombinant human ALK5 expressed in baculovirus-infected... | 24704197 |
| Mitogen-activated protein kinase 14 | IC50 | = | 5110.0 | nM | 5.29 | Inhibition of recombinant human p38-alpha expressed in Escherichia coli using AT... | 24704197 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24704197 | 10.1016/j.bmc.2014.03.022 | TGF-beta receptor type-1 | 3 |
| 24704197 | 10.1016/j.bmc.2014.03.022 | Mitogen-activated protein kinase 14 | 1 |
| 24704197 | 10.1016/j.bmc.2014.03.022 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine