Compound Detail
CHEMBL4288905
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NS(=O)(=O)c1ccc(-c2cnn3cc(-c4ccc(OCCN5CCCC5)cc4)cnc23)c2ccccc12
Basic Information
| ChEMBL ID | CHEMBL4288905 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QBEIGPCAOHBNPR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
513.6
MW (Da)
4.34
ALogP
7
HBA
1
HBD
102.8
PSA (Ų)
0.35
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Activin receptor type-1 CHEMBL5903 | IC50 | 7.32 | 7.32 | 48.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.5 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Activin receptor type-1 | IC50 | = | 48.0 | nM | 7.32 | 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 | No relevant target | 2 |
| 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 |
| 30227946 | 10.1016/j.bmcl.2018.09.006 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine