Compound Detail
CHEMBL5909251
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C[C@@H]1CN(C(=O)N2Cc3c(Nc4ccnc(C#N)n4)n[nH]c3C2(C)C)[C@@H](C)CN1C
Basic Information
| ChEMBL ID | CHEMBL5909251 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AILQOERCUFVJMB-OLZOCXBDSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
409.5
MW (Da)
2.01
ALogP
7
HBA
2
HBD
117.1
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C beta type CHEMBL3045 | Ki | 8.61 | 8.61 | 2.4 | 1 |
| Unchecked CHEMBL612545 | Ki | 8.61 | 8.61 | 2.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 2.43 | nM | 8.61 | Inhibition Assay: Protein Kinase C beta 2 (PKCβII) catalyzes the production of A... | - |
| Protein kinase C beta type | Ki | = | 2.43 | nM | 8.61 | Protein Kinase C beta 2 Assay: A typical assay was carried out on a 96-well, cle... | - |
Data from ChEMBL 36 via Core Engine