Compound Detail
CHEMBL4214470
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4214470 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LZJABIHXXPLMEI-CALCHBBNSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
432.5
MW (Da)
3.43
ALogP
8
HBA
3
HBD
106.0
PSA (Ų)
0.43
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| TGF-beta receptor type-1 CHEMBL4439 | IC50 | 8.37 | 8.37 | 4.3 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.12 | 7.12 | 76.0 | 1 |
| TGF-beta receptor type-2 CHEMBL4267 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TGF-beta receptor type-1 | IC50 | = | 4.3 | nM | 8.37 | Inhibition of human His-tagged TGFbetaR1 T204D mutant expressed in Sf9 insect ce... | 29422332 |
| Unchecked | IC50 | = | 76.0 | nM | 7.12 | Inhibition of TGFbetaR1 in mink Mv1Lu cells assessed as TGFbeta-stimulated PSMAD... | 29422332 |
| TGF-beta receptor type-2 | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of wild type His-tagged TGFbetaR2 (unknown origin) after 1 hr by HTRF... | 29422332 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29422332 | 10.1016/j.bmc.2018.01.014 | ADMET | 3 |
| 29422332 | 10.1016/j.bmc.2018.01.014 | Unchecked | 1 |
| 29422332 | 10.1016/j.bmc.2018.01.014 | TGF-beta receptor type-2 | 1 |
| 29422332 | 10.1016/j.bmc.2018.01.014 | TGF-beta receptor type-1 | 1 |
Data from ChEMBL 36 via Core Engine