Compound Detail
CHEMBL5856050
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CCN(CC)[C@@H](C)CNC(=O)c1cc(-c2cnn3ccc(-c4cccs4)nc23)nc(N2CC[C@H]2C(=O)N2CCOCC2)c1
Basic Information
| ChEMBL ID | CHEMBL5856050 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GENBDMMNGUPLGS-LVXARBLLSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
602.8
MW (Da)
3.42
ALogP
10
HBA
1
HBD
108.2
PSA (Ų)
0.29
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.67
IC50 1 meas. best 9.8
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 0.16 | nM | 9.8 | CaMKII delta Biochemical Assay: The biochemical activity of recombinant CaMKIIδ ... | - |
| Unchecked | EC50 | = | 21.3 | nM | 7.67 | CaMKII Cell-Based Activity: CaMKII activity in neonatal rat ventricular myocytes... | - |
Data from ChEMBL 36 via Core Engine