Compound Detail
CHEMBL5590609
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Basic Information
| ChEMBL ID | CHEMBL5590609 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KNGDSLDIOAICSE-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
406.5
MW (Da)
5.12
ALogP
5
HBA
1
HBD
54.2
PSA (Ų)
0.45
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.97
EC50 1 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Activin receptor type-1 CHEMBL5903 | IC50 | 5.97 | 5.97 | 1074.0 | 1 |
| Activin receptor type-1-like CHEMBL5311 | IC50 | 5.67 | 5.67 | 2150.0 | 1 |
| Activin receptor type-1 CHEMBL5903 | EC50 | 5.44 | 5.44 | 3601.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Activin receptor type-1 | IC50 | = | 1074.0 | nM | 5.97 | Inhibition of human ALK2 using casein as substrate in presence of [gamma-33P]ATP... | 39023313 |
| Activin receptor type-1-like | IC50 | = | 2150.0 | nM | 5.67 | Inhibition of human ALK1 using casein as substrate in presence of [gamma-33P]ATP... | 39023313 |
| Activin receptor type-1 | EC50 | = | 3601.0 | nM | 5.44 | Inhibition of ALK2 NanoLuc fusion construct (unknown origin) incubated for 2 hrs... | 39023313 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39023313 | 10.1021/acs.jmedchem.4c00629 | ALK1/2 | 5 |
| 39023313 | 10.1021/acs.jmedchem.4c00629 | Activin receptor type-1-like | 2 |
| 39023313 | 10.1021/acs.jmedchem.4c00629 | Activin receptor type-1 | 2 |
| 39023313 | 10.1021/acs.jmedchem.4c00629 | Bone morphogenetic protein receptor type-1A | 2 |
| 39023313 | 10.1021/acs.jmedchem.4c00629 | Activin receptor type-1B | 2 |
| 39023313 | 10.1021/acs.jmedchem.4c00629 | TGF-beta receptor type-1 | 2 |
| 39023313 | 10.1021/acs.jmedchem.4c00629 | Bone morphogenetic protein receptor type-1B | 2 |
| 39023313 | 10.1021/acs.jmedchem.4c00629 | U2OS | 2 |
| 39023313 | 10.1021/acs.jmedchem.4c00629 | Epithelial discoidin domain-containing receptor 1 | 1 |
| 39023313 | 10.1021/acs.jmedchem.4c00629 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
Data from ChEMBL 36 via Core Engine