Compound Detail
CHEMBL2385582
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Basic Information
| ChEMBL ID | CHEMBL2385582 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SZVLDZCYMADNPG-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
407.5
MW (Da)
4.45
ALogP
6
HBA
0
HBD
55.5
PSA (Ų)
0.44
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| TGF-beta receptor type-2 CHEMBL4267 | IC50 | 7.58 | 7.58 | 26.0 | 1 |
| TGF-beta receptor type-1 CHEMBL4439 | IC50 | 6.75 | 6.75 | 178.0 | 1 |
| Activin receptor type-1B CHEMBL5310 | IC50 | 6.49 | 6.49 | 326.0 | 1 |
| 5'-AMP-activated protein kinase subunit beta-1 CHEMBL3847 | IC50 | 5.57 | 5.57 | 2680.0 | 1 |
| Bone morphogenetic protein receptor type-2 CHEMBL5467 | IC50 | 5.44 | 5.44 | 3640.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 5.27 | 5.27 | 5330.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TGF-beta receptor type-2 | IC50 | = | 26.0 | nM | 7.58 | Inhibition of TGFBR2 (unknown origin) | 23639540 |
| TGF-beta receptor type-1 | IC50 | = | 178.0 | nM | 6.75 | Inhibition of ALK5 (unknown origin) | 23639540 |
| Activin receptor type-1B | IC50 | = | 326.0 | nM | 6.49 | Inhibition of ALK4 (unknown origin) | 23639540 |
| 5'-AMP-activated protein kinase subunit beta-1 | IC50 | = | 2680.0 | nM | 5.57 | Inhibition of AMPK (unknown origin) | 23639540 |
| Bone morphogenetic protein receptor type-2 | IC50 | = | 3640.0 | nM | 5.44 | Inhibition of BMPR2 (unknown origin) | 23639540 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 5330.0 | nM | 5.27 | Inhibition of KDR (unknown origin) | 23639540 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23639540 | 10.1016/j.bmcl.2013.03.113 | Bone morphogenetic protein receptor type-1B | 1 |
| 23639540 | 10.1016/j.bmcl.2013.03.113 | Bone morphogenetic protein receptor type-1A | 1 |
| 23639540 | 10.1016/j.bmcl.2013.03.113 | Activin receptor type-1 | 1 |
| 23639540 | 10.1016/j.bmcl.2013.03.113 | Activin receptor type-1-like | 1 |
| 23639540 | 10.1016/j.bmcl.2013.03.113 | Bone morphogenetic protein 4 | 1 |
| 23639540 | 10.1016/j.bmcl.2013.03.113 | Vascular endothelial growth factor receptor 2 | 1 |
| 23639540 | 10.1016/j.bmcl.2013.03.113 | Bone morphogenetic protein receptor type-2 | 1 |
| 23639540 | 10.1016/j.bmcl.2013.03.113 | 5'-AMP-activated protein kinase subunit beta-1 | 1 |
| 23639540 | 10.1016/j.bmcl.2013.03.113 | Activin receptor type-1B | 1 |
| 23639540 | 10.1016/j.bmcl.2013.03.113 | TGF-beta receptor type-1 | 1 |
| 23639540 | 10.1016/j.bmcl.2013.03.113 | TGF-beta receptor type-2 | 1 |
Data from ChEMBL 36 via Core Engine