Compound Detail
CHEMBL2385597
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Basic Information
| ChEMBL ID | CHEMBL2385597 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JMIFGARJSWXZSH-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
19
Publications
0
Known Names
Molecular Properties
380.4
MW (Da)
5.40
ALogP
5
HBA
0
HBD
52.3
PSA (Ų)
0.42
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| 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-like CHEMBL5311 | IC50 | 7.57 | 7.57 | 27.0 | 1 |
| Bone morphogenetic protein receptor type-1B CHEMBL5476 | IC50 | 7.32 | 7.32 | 47.6 | 1 |
| Activin receptor type-1 CHEMBL5903 | IC50 | 7.0 | 6.98 | 100.0 | 3 |
| Activin receptor type-1B CHEMBL5310 | IC50 | 5.02 | 5.02 | 9622.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Activin receptor type-1-like | IC50 | = | 27.0 | nM | 7.57 | Inhibition of ALK1 (unknown origin) | 23639540 |
| Bone morphogenetic protein receptor type-1B | IC50 | = | 47.6 | nM | 7.32 | Inhibition of ALK6 (unknown origin) | 23639540 |
| Activin receptor type-1 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of human ALK2 in presence of (33P)gamma ATP | 26288266 |
| Activin receptor type-1 | IC50 | = | 107.9 | nM | 6.97 | Inhibition of ALK2 (unknown origin) | 23639540 |
| Activin receptor type-1 | IC50 | = | 107.9 | nM | 6.97 | Kinase Assay: Kinase assays were performed using the assay kit by Reaction Biolo... | - |
| Activin receptor type-1B | IC50 | = | 9622.0 | nM | 5.02 | Inhibition of ALK4 (unknown origin) | 23639540 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5303304 | U2OS | 5 |
| - | 10.6019/CHEMBL5303304 | HEK-293T | 5 |
| - | 10.6019/CHEMBL5303304 | Fibroblast | 4 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 4 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 2 |
| 23639540 | 10.1016/j.bmcl.2013.03.113 | Activin receptor type-1-like | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| 26288266 | 10.1021/acs.jmedchem.5b00446 | Activin receptor type-1 | 1 |
| 26288266 | 10.1021/acs.jmedchem.5b00446 | Unchecked | 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-1B | 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-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 | TGF-beta receptor type-1 | 1 |
| 23639540 | 10.1016/j.bmcl.2013.03.113 | Bone morphogenetic protein receptor type-2 | 1 |
| 23639540 | 10.1016/j.bmcl.2013.03.113 | TGF-beta receptor type-2 | 1 |
| 23639540 | 10.1016/j.bmcl.2013.03.113 | 5'-AMP-activated protein kinase subunit beta-1 | 1 |
Data from ChEMBL 36 via Core Engine