Compound Detail
CHEMBL5218751
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CC(C)C1=C2[C@@H](O[C@H]3O[C@@H]4COC(C)(C)O[C@H]4[C@H](O)[C@H]3O)[C@H](O)[C@H](C)[C@@H]3CC[C@H](COC(F)(F)F)/C3=C/[C@@]2(C)CC1
Basic Information
| ChEMBL ID | CHEMBL5218751 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZFNWPHWYJQOVPN-DQGPIOHJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
590.7
MW (Da)
4.22
ALogP
8
HBA
3
HBD
106.8
PSA (Ų)
0.41
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 6.19 | 6.19 | 650.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 650.0 | nM | 6.19 | Stabilization of mode-1 phosphopeptide FAM-KRSHpSVP binding to recombinant 14-3-... | 36182801 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36182801 | 10.1016/j.bmc.2022.117020 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine