Compound Detail
CHEMBL5761129
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COc1ccnc(Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)N(CC4CCOCC4)C[C@@H]2C)C3(C)C)n1
Basic Information
| ChEMBL ID | CHEMBL5761129 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DOXSQYHRFBWFHU-SJORKVTESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
498.6
MW (Da)
2.94
ALogP
8
HBA
2
HBD
111.7
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C beta type CHEMBL3045 | Ki | 7.72 | 7.72 | 19.2 | 1 |
| Unchecked CHEMBL612545 | Ki | 7.72 | 7.72 | 19.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 19.2 | nM | 7.72 | Inhibition Assay: Protein Kinase C beta 2 (PKCβII) catalyzes the production of A... | - |
| Protein kinase C beta type | Ki | = | 19.2 | nM | 7.72 | Protein Kinase C beta 2 Assay: A typical assay was carried out on a 96-well, cle... | - |
Data from ChEMBL 36 via Core Engine