Compound Detail
CHEMBL4282837
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CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccc(O)cc3c3c4c(c5c6cc(O)ccc6n2c5c31)C(=O)NC4
Basic Information
| ChEMBL ID | CHEMBL4282837 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZMSQWSOKLIXTQV-FYTWVXJKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
498.5
MW (Da)
3.77
ALogP
8
HBA
4
HBD
109.9
PSA (Ų)
0.30
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C (PKC) CHEMBL2094266 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Serine/threonine-protein kinase PAK 3 CHEMBL2999 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C (PKC) | IC50 | = | 1.0 | nM | 9.0 | Inhibition of rat brain PKC using RGFR derived peptide substrate | 28814374 |
| Serine/threonine-protein kinase PAK 3 | IC50 | = | 1.0 | nM | 9.0 | Inhibition of GST-tagged PAK3 (unknown origin) expressed in Escherichia coli usi... | 28814374 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28814374 | 10.1016/j.ejmech.2017.07.043 | Protein kinase C (PKC) | 1 |
| 28814374 | 10.1016/j.ejmech.2017.07.043 | Serine/threonine-protein kinase PAK 3 | 1 |
Data from ChEMBL 36 via Core Engine