Compound Detail
CHEMBL5953044
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CCOc1nccc(Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)C(C)C[C@@H]2C)C3(C)C)n1
Basic Information
| ChEMBL ID | CHEMBL5953044 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LLUSARHOPSRLJQ-DMJDIKPUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
427.6
MW (Da)
3.88
ALogP
6
HBA
2
HBD
99.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.88 | 7.88 | 13.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 13.1 | nM | 7.88 | Inhibition Assay: Protein Kinase C beta 2 (PKCβII) catalyzes the production of A... | - |
Data from ChEMBL 36 via Core Engine