Compound Detail
CHEMBL289892
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CC(C)[C@H]1C(=O)N[C@H](CO)Cc2cc3c(cc2N1C)C1(CCC3)CCC(C)(C)CC1
Basic Information
| ChEMBL ID | CHEMBL289892 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JZQRNYZBAVMSEE-REWPJTCUSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
412.6
MW (Da)
4.35
ALogP
3
HBA
2
HBD
52.6
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.7
Ki 1 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C delta type CHEMBL2996 | Ki | 7.85 | 7.85 | 14.0 | 1 |
| HL-60 CHEMBL383 | EC50 | 7.7 | 7.7 | 20.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C delta type | Ki | = | 14.0 | nM | 7.85 | Displacement of [3H]PDBu from recombinant Protein kinase C delta | 9554881 |
| HL-60 | EC50 | = | 20.0 | nM | 7.7 | Effective concentration against HL-60 cell differentiation | 9554881 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9554881 | 10.1021/jm970704s | Protein kinase C delta type | 1 |
| 9554881 | 10.1021/jm970704s | HL-60 | 1 |
Data from ChEMBL 36 via Core Engine