Compound Detail
CHEMBL5961222
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COCCN1CCN(c2ccc(Nc3nccc(-c4cn(C5CCOC5)nc4-c4cccnc4)n3)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL5961222 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GTNJYNMCDQMQRO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
526.6
MW (Da)
3.88
ALogP
10
HBA
1
HBD
93.5
PSA (Ų)
0.35
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Activin receptor type-1 CHEMBL5903 | IC50 | 8.89 | 8.89 | 1.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Activin receptor type-1 | IC50 | = | 1.3 | nM | 8.89 | Enzyme Inhibitory Assay: R206H: An overview of evaluation of an inhibitory effec... | - |
Data from ChEMBL 36 via Core Engine