Compound Detail
CHEMBL5175742
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CC1=C[C@H]2[C@@]3(O)[C@H](C)C[C@]4(OC(=O)Cc5cccc6ccccc56)[C@H]([C@@H]3C=C(CO)C[C@]2(O)C1=O)C4(C)C
Basic Information
| ChEMBL ID | CHEMBL5175742 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LRAINPLMZGHVDY-XJHGEDELSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
516.6
MW (Da)
3.91
ALogP
6
HBA
3
HBD
104.1
PSA (Ų)
0.42
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.99
Ki 1 meas. best 9.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C gamma type CHEMBL2938 | Ki | 9.19 | 9.19 | 0.7 | 1 |
| Unchecked CHEMBL612545 | EC50 | 7.99 | 7.99 | 10.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C gamma type | Ki | = | 0.65 | nM | 9.19 | Displacement of 3H-PDBu from recombinant human PKCgamma incubated for 25 mins by... | 33540228 |
| Unchecked | EC50 | = | 10.2 | nM | 7.99 | Inhibition of HIV-1 latency infected in human U1 cells assessed as increase in p... | 33540228 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33540228 | 10.1016/j.ejmech.2021.113213 | Unchecked | 1 |
| 33540228 | 10.1016/j.ejmech.2021.113213 | Protein kinase C gamma type | 1 |
Data from ChEMBL 36 via Core Engine