Compound Detail
CHEMBL5303363
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COc1cc(-c2cncc(-c3ccc(N4CCN(C(C)C)CC4)cc3)c2C)cc(F)c1C(=O)N1CCCC1
Basic Information
| ChEMBL ID | CHEMBL5303363 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WFJOMSKCDAOJBT-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
516.7
MW (Da)
5.64
ALogP
5
HBA
0
HBD
48.9
PSA (Ų)
0.42
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.25
IC50 1 meas. best 5.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Activin receptor type-1 CHEMBL5903 | EC50 | 5.25 | 5.25 | 5686.0 | 1 |
| Activin receptor type-1 CHEMBL5903 | IC50 | 5.25 | 5.25 | 5686.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Activin receptor type-1 | EC50 | = | 5686.0 | nM | 5.25 | Inhibition of ALK2 NanoLuc fusion construct (unknown origin) incubated for 2 hrs... | 39023313 |
| Activin receptor type-1 | IC50 | = | 5686.0 | nM | 5.25 | Affinity On-target Cellular interaction: (NanoBRET assay (HEK293T cells)) EUB000... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5303304 | Fibroblast | 8 |
| 39023313 | 10.1021/acs.jmedchem.4c00629 | ALK1/2 | 5 |
| - | 10.6019/CHEMBL5303304 | HEK-293T | 3 |
| - | 10.6019/CHEMBL5303304 | U2OS | 3 |
| - | 10.6019/CHEMBL5308504 | Transcription intermediary factor 1-alpha | 1 |
| - | 10.6019/CHEMBL5665443 | Uracil-DNA glycosylase | 1 |
| - | 10.6019/CHEMBL5465560 | Activin receptor type-1B | 1 |
| - | 10.6019/CHEMBL5465560 | Bone morphogenetic protein receptor type-1A | 1 |
| - | 10.6019/CHEMBL5445981 | Activin receptor type-1 | 1 |
| - | 10.6019/CHEMBL5445981 | Activin receptor type-1-like | 1 |
| - | 10.6019/CHEMBL5444388 | Activin receptor type-1 | 1 |
| - | 10.6019/CHEMBL5444388 | Activin receptor type-1-like | 1 |
| - | 10.6019/CHEMBL5308504 | Bromodomain-containing protein 4 | 1 |
| - | 10.6019/CHEMBL5308504 | Peregrin | 1 |
| - | 10.6019/CHEMBL5308504 | Fibroblast growth factor receptor 3 | 1 |
| - | 10.6019/CHEMBL5308504 | Tyrosine-protein kinase ABL1 | 1 |
| - | 10.6019/CHEMBL5308504 | Aurora kinase A | 1 |
| - | 10.6019/CHEMBL5308504 | Mitogen-activated protein kinase 1 | 1 |
| - | 10.6019/CHEMBL5308504 | Glycogen synthase kinase-3 beta | 1 |
| - | 10.6019/CHEMBL5308504 | Cyclin-dependent kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine