Compound Detail
CHEMBL5595157
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Basic Information
| ChEMBL ID | CHEMBL5595157 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BZXHYPDAQAEAKY-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
420.5
MW (Da)
5.43
ALogP
5
HBA
1
HBD
54.2
PSA (Ų)
0.42
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Activin receptor type-1 CHEMBL5903 | IC50 | 7.57 | 7.57 | 27.0 | 1 |
| Activin receptor type-1-like CHEMBL5311 | IC50 | 7.39 | 7.39 | 41.0 | 1 |
| Bone morphogenetic protein receptor type-1B CHEMBL5476 | IC50 | 6.91 | 6.91 | 123.0 | 1 |
| Activin receptor type-1B CHEMBL5310 | IC50 | 6.54 | 6.54 | 286.0 | 1 |
| TGF-beta receptor type-1 CHEMBL4439 | IC50 | 6.19 | 6.19 | 642.0 | 1 |
| Bone morphogenetic protein receptor type-1A CHEMBL5275 | IC50 | 5.85 | 5.85 | 1415.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Activin receptor type-1 | IC50 | = | 27.0 | nM | 7.57 | Inhibition of human ALK2 using casein as substrate in presence of [gamma-33P]ATP... | 39023313 |
| Activin receptor type-1-like | IC50 | = | 41.0 | nM | 7.39 | Inhibition of human ALK1 using casein as substrate in presence of [gamma-33P]ATP... | 39023313 |
| Bone morphogenetic protein receptor type-1B | IC50 | = | 123.0 | nM | 6.91 | Inhibition of human ALK6 using casein as substrate in presence of [gamma-33P]ATP... | 39023313 |
| Activin receptor type-1B | IC50 | = | 286.0 | nM | 6.54 | Inhibition of human ALK4 using casein as substrate in presence of [gamma-33P]ATP... | 39023313 |
| TGF-beta receptor type-1 | IC50 | = | 642.0 | nM | 6.19 | Inhibition of human ALK5 using casein as substrate in presence of [gamma-33P]ATP... | 39023313 |
| Bone morphogenetic protein receptor type-1A | IC50 | = | 1415.0 | nM | 5.85 | Inhibition of human ALK3 using casein as substrate in presence of [gamma-33P]ATP... | 39023313 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39023313 | 10.1021/acs.jmedchem.4c00629 | Activin receptor type-1-like | 1 |
| 39023313 | 10.1021/acs.jmedchem.4c00629 | Activin receptor type-1 | 1 |
| 39023313 | 10.1021/acs.jmedchem.4c00629 | Bone morphogenetic protein receptor type-1A | 1 |
| 39023313 | 10.1021/acs.jmedchem.4c00629 | Activin receptor type-1B | 1 |
| 39023313 | 10.1021/acs.jmedchem.4c00629 | TGF-beta receptor type-1 | 1 |
| 39023313 | 10.1021/acs.jmedchem.4c00629 | Bone morphogenetic protein receptor type-1B | 1 |
Data from ChEMBL 36 via Core Engine