Compound Detail
CHEMBL9680
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COC(=O)c1cc(NC(=O)Cn2cc(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3ccccc32)cn1C
Basic Information
| ChEMBL ID | CHEMBL9680 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IUUWQNDMLPGXNH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
521.5
MW (Da)
3.45
ALogP
7
HBA
3
HBD
127.2
PSA (Ų)
0.23
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C alpha type CHEMBL299 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C alpha type | IC50 | = | 500.0 | nM | 6.3 | Inhibition of Protein kinase C alpha | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8676340 | 10.1021/jm950465d | DNA topoisomerase 1 | 20 |
| 8676340 | 10.1021/jm950465d | KB | 1 |
| - | 10.1016/0960-894X(95)00060-7 | Protein kinase C alpha type | 1 |
Data from ChEMBL 36 via Core Engine