Compound Detail
CHEMBL17377
FOSTRIECIN 🧪 Phase II
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🧪 Phase II
C[C@@](O)(/C=C/[C@H]1CC=CC(=O)O1)[C@@H](C[C@@H](O)/C=C\C=C/C=C/CO)OP(=O)(O)O
Basic Information
| ChEMBL ID | CHEMBL17377 |
| Name | FOSTRIECIN |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | ZMQRJWIYMXZORG-DSWNLJKISA-N |
3
Targets
8
Activities
1
Assay Types
0
PK Parameters
7
Publications
7
Known Names
Molecular Properties
430.4
MW (Da)
1.06
ALogP
7
HBA
5
HBD
153.8
PSA (Ų)
0.14
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Activity Summary
IC50 8 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.82 | 8.4467 | 1.5 | 3 |
| Serine/threonine-protein phosphatase 4 catalytic subunit CHEMBL5465552 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 4.89 | 4.5167 | 12800.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1.5 | nM | 8.82 | Inhibition of PP2A (unknown origin) phosphatase domain | 37054560 |
| Unchecked | IC50 | = | 3.0 | nM | 8.52 | Inhibition of PP4 (unknown origin) using [3H]-phosphohistone as substrate by liq... | 34156850 |
| Serine/threonine-protein phosphatase 4 catalytic subunit | IC50 | = | 3.0 | nM | 8.52 | Inhibition of PP4 (unknown origin) phosphatase domain | 37054560 |
| Unchecked | IC50 | = | 10.0 | nM | 8.0 | Inhibition of PP6 (unknown origin) phosphatase domain | 37054560 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 12800.0 | nM | 4.89 | Inhibitory concentration of compound against strand transfer of HIV-1 integrase ... | 9083483 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 41300.0 | nM | 4.38 | Inhibitory concentration of compound against 3'-processing of HIV-1 integrase in... | 9083483 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 52700.0 | nM | 4.28 | Inhibitory concentration of compound against strand transfer of HIV-1 integrase ... | 9083483 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9083483 | 10.1021/jm960759e | Human immunodeficiency virus type 1 integrase | 6 |
| 37054560 | 10.1016/j.ejmech.2023.115350 | Unchecked | 4 |
| 34156850 | 10.1021/acs.jmedchem.1c00631 | Unchecked | 2 |
| 34156850 | 10.1021/acs.jmedchem.1c00631 | Serine/threonine-protein phosphatase 5 | 1 |
| 37054560 | 10.1016/j.ejmech.2023.115350 | Serine/threonine-protein phosphatase 4 catalytic subunit | 1 |
| 37054560 | 10.1016/j.ejmech.2023.115350 | Serine/threonine-protein phosphatase 5 | 1 |
| 37054560 | 10.1016/j.ejmech.2023.115350 | Serine/threonine-protein phosphatase with EF-hands 1 | 1 |
Data from ChEMBL 36 via Core Engine