Compound Detail
CHEMBL4575999
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Basic Information
| ChEMBL ID | CHEMBL4575999 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZCLWKSOLVKDHKE-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
384.5
MW (Da)
3.38
ALogP
4
HBA
2
HBD
57.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Activin receptor type-1 CHEMBL5903 | IC50 | 6.77 | 6.336 | 171.0 | 5 |
| TGF-beta receptor type-1 CHEMBL4439 | IC50 | 5.32 | 5.32 | 4810.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Activin receptor type-1 | IC50 | = | 171.0 | nM | 6.77 | Inhibition of ALK2 G328V mutant (unknown origin) | 32369358 |
| Activin receptor type-1 | IC50 | = | 226.0 | nM | 6.65 | Inhibition of human ALK2 R206H mutant using casein as substrate in presence of 1... | 32369358 |
| Activin receptor type-1 | IC50 | = | 363.0 | nM | 6.44 | Inhibition of ALK2 R258G mutant (unknown origin) | 32369358 |
| Activin receptor type-1 | IC50 | = | 652.0 | nM | 6.19 | Inhibition of human ALK2 using casein as substrate in presence of 10 uM [gamma33... | 32369358 |
| Activin receptor type-1 | IC50 | = | 2336.0 | nM | 5.63 | Inhibition of C-terminal nanoluciferase-fused ALK2 (unknown origin) expressed in... | 32369358 |
| TGF-beta receptor type-1 | IC50 | = | 4810.0 | nM | 5.32 | 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