Compound Detail
CHEMBL4292331
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C[C@@H]1CNC[C@H](C)N1c1ccc(-c2cnc3c(-c4ccc(S(N)(=O)=O)c(N)c4)cnn3c2)cc1
Basic Information
| ChEMBL ID | CHEMBL4292331 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LWQXFEYRVFFWHU-IYBDPMFKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
477.6
MW (Da)
2.48
ALogP
8
HBA
3
HBD
131.6
PSA (Ų)
0.38
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Activin receptor type-1 CHEMBL5903 | IC50 | 6.54 | 6.54 | 291.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Activin receptor type-1 | IC50 | = | 291.0 | nM | 6.54 | 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