Compound Detail
CHEMBL417692
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C=C[C@@]1(C)CC[C@](C)(C(C)C)c2cc3c4c(c[nH]c4c21)C[C@@H](CO)NC(=O)[C@H](C(C)C)N3C
Basic Information
| ChEMBL ID | CHEMBL417692 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PEYTUVXFLCCGCC-YGHSORLUSA-N |
4
Targets
5
Activities
3
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
451.7
MW (Da)
4.81
ALogP
3
HBA
3
HBD
68.4
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 10.0
EC50 1 meas. best 8.3
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C eta type CHEMBL4992 | Ki | 10.0 | 10.0 | 0.1 | 1 |
| Protein kinase C delta type CHEMBL2996 | Ki | 9.49 | 9.49 | 0.3 | 1 |
| Protein kinase C gamma type CHEMBL3604 | Ki | 8.7 | 8.7 | 2.0 | 1 |
| HL-60 CHEMBL383 | EC50 | 8.3 | 8.3 | 5.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C eta type | Ki | = | 0.1 | nM | 10.0 | Inhibition of [3H]- PDBu binding to peptide D of mouse skin Protein kinase C eta | - |
| Protein kinase C delta type | Ki | = | 0.32 | nM | 9.49 | Displacement of [3H]PDBu from recombinant Protein kinase C delta | 9554881 |
| Protein kinase C gamma type | Ki | = | 2.0 | nM | 8.7 | Inhibition of [3H]- PDBu binding to peptide C, rat brain PKC gamma | - |
| HL-60 | EC50 | = | 5.0 | nM | 8.3 | Effective concentration against monocytes of HL-60 cells growth inhibition | 9554881 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38840407 | 10.1021/acs.jnatprod.4c00395 | Unchecked | 15 |
| 8201310 | 10.1021/np50105a005 | HeLa | 4 |
| 9554881 | 10.1021/jm970704s | Protein kinase C delta type | 1 |
| 9554881 | 10.1021/jm970704s | HL-60 | 1 |
| 1613749 | 10.1021/jm00090a016 | HL-60 | 1 |
| - | 10.1016/0960-894X(96)00026-1 | Protein kinase C gamma type | 1 |
| - | 10.1016/0960-894X(96)00026-1 | Protein kinase C eta type | 1 |
| 8201310 | 10.1021/np50105a005 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine