Compound Detail
CHEMBL4278242
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CNS(=O)(=O)c1ccc(-c2cnn3cc(-c4ccc(N5[C@H](C)CNC[C@@H]5C)cc4)cnc23)c2ccccc12
Basic Information
| ChEMBL ID | CHEMBL4278242 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UMIZLAZHGLQRAL-BGYRXZFFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
526.7
MW (Da)
4.31
ALogP
7
HBA
2
HBD
91.6
PSA (Ų)
0.35
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Activin receptor type-1 CHEMBL5903 | IC50 | 6.49 | 6.49 | 326.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Activin receptor type-1 | IC50 | = | 326.0 | nM | 6.49 | Inhibition of ALK2 (unknown origin) using Ulight topo IIa (Thr 1342) peptide as ... | 30227946 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30227946 | 10.1016/j.bmcl.2018.09.006 | Activin receptor type-1 | 1 |
| 30227946 | 10.1016/j.bmcl.2018.09.006 | Bone morphogenetic protein receptor type-1A | 1 |
Data from ChEMBL 36 via Core Engine