Compound Detail
CHEMBL5781360
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CCn1cc(-c2ccnc(Nc3ccc(N4CCN(CC(C)(C)O)CC4)cc3)n2)c(-c2cccnc2)n1
Basic Information
| ChEMBL ID | CHEMBL5781360 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PRWYUWMVUBDGSQ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
498.6
MW (Da)
4.06
ALogP
9
HBA
2
HBD
95.2
PSA (Ų)
0.38
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Activin receptor type-1 CHEMBL5903 | IC50 | 7.96 | 7.92 | 11.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Activin receptor type-1 | IC50 | = | 11.0 | nM | 7.96 | Enzyme Inhibitory Assay: R206H: An overview of evaluation of an inhibitory effec... | - |
| Activin receptor type-1 | IC50 | = | 13.2 | nM | 7.88 | Enzyme Inhibitory Assay: TABLE 5: An overview of evaluation of an inhibitory eff... | - |
Data from ChEMBL 36 via Core Engine