Compound Detail
CHEMBL4553210
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Basic Information
| ChEMBL ID | CHEMBL4553210 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GFEAXKZXFORDDU-UHFFFAOYSA-N |
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
402.5
MW (Da)
3.24
ALogP
5
HBA
2
HBD
80.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Activin receptor type-1 CHEMBL5903 | IC50 | 8.3 | 7.886 | 5.0 | 5 |
| TGF-beta receptor type-1 CHEMBL4439 | IC50 | 6.24 | 6.195 | 576.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Activin receptor type-1 | IC50 | = | 5.0 | nM | 8.3 | Inhibition of ALK2 G328V mutant (unknown origin) | 32369358 |
| Activin receptor type-1 | IC50 | = | 9.0 | nM | 8.05 | Inhibition of human ALK2 R206H mutant using casein as substrate in presence of 1... | 32369358 |
| Activin receptor type-1 | IC50 | = | 9.0 | nM | 8.05 | Inhibition of ALK2 R258G mutant (unknown origin) | 32369358 |
| Activin receptor type-1 | IC50 | = | 17.0 | nM | 7.77 | Inhibition of human ALK2 using casein as substrate in presence of 10 uM [gamma33... | 32369358 |
| Activin receptor type-1 | IC50 | = | 55.0 | nM | 7.26 | Inhibition of C-terminal nanoluciferase-fused ALK2 (unknown origin) expressed in... | 32369358 |
| TGF-beta receptor type-1 | IC50 | = | 576.0 | nM | 6.24 | Inhibition of human ALK5 using casein as substrate in presence of 10 uM [gamma33... | 32369358 |
| TGF-beta receptor type-1 | IC50 | = | 704.0 | nM | 6.15 | Inhibition of ALK5 (unknown origin) expressed in HEK293 cells transfected with C... | 32369358 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32369358 | 10.1021/acs.jmedchem.0c00395 | Activin receptor type-1 | 5 |
| 32369358 | 10.1021/acs.jmedchem.0c00395 | TGF-beta receptor type-1 | 2 |
| 32369358 | 10.1021/acs.jmedchem.0c00395 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine