Compound Detail
CHEMBL411297
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 | CHEMBL411297 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SKDXNKDCRIQAKF-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
413.5
MW (Da)
4.44
ALogP
6
HBA
0
HBD
56.1
PSA (Ų)
0.45
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.21
EC50 1 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.21 | 7.21 | 61.0 | 1 |
| NIH3T3 CHEMBL614822 | IC50 | 7.14 | 7.14 | 72.0 | 1 |
| TGF-beta receptor type-1 CHEMBL4439 | IC50 | 7.07 | 7.07 | 85.0 | 1 |
| Mus musculus CHEMBL375 | EC50 | 6.46 | 6.46 | 343.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 61.0 | nM | 7.21 | Antiproliferative activity against mink Mv1Lu-p3TP-Lux cells by luciferase repor... | 18314943 |
| NIH3T3 | IC50 | = | 72.0 | nM | 7.14 | Antiproliferative activity against mouse NIH3T3 cells by [3H]thymidine assay | 18314943 |
| TGF-beta receptor type-1 | IC50 | = | 85.0 | nM | 7.07 | Inhibition of TGFbeta type receptor 1 ALK5 (T204D) expressed in Sf9 cells | 18314943 |
| Mus musculus | EC50 | = | 343.0 | nM | 6.46 | Inhibition of TGFbeta type receptor 1 in orally dosed human Calu6 cells xenograf... | 18314943 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18314943 | 10.1021/jm701199p | Mus musculus | 2 |
| 18314943 | 10.1021/jm701199p | TGF-beta receptor type-1 | 1 |
| 18314943 | 10.1021/jm701199p | NON-PROTEIN TARGET | 1 |
| 18314943 | 10.1021/jm701199p | NIH3T3 | 1 |
| 18314943 | 10.1021/jm701199p | ADMET | 1 |
| 18314943 | 10.1021/jm701199p | Liver microsomes | 1 |
| 18314943 | 10.1021/jm701199p | Caco-2 | 1 |
Data from ChEMBL 36 via Core Engine