Compound Detail
CHEMBL4794175
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
CC(C)(O)c1cc(Nc2cc(Oc3cn(C4CC4)nc3-c3ccc(C(=O)O)cc3)ccn2)ccn1
Basic Information
| ChEMBL ID | CHEMBL4794175 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YFDRVKMPNWIUTK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
471.5
MW (Da)
5.14
ALogP
8
HBA
3
HBD
122.4
PSA (Ų)
0.32
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| TGF-beta receptor type-1 CHEMBL4439 | IC50 | 6.09 | 6.09 | 814.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TGF-beta receptor type-1 | IC50 | = | 814.0 | nM | 6.09 | Inhibition of ALK5 (unknown origin) measured after 120 mins of incubation by ADP... | 32387837 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32387837 | 10.1016/j.ejmech.2020.112354 | TGF-beta receptor type-1 | 2 |
Data from ChEMBL 36 via Core Engine