Compound Detail
CHEMBL4088092
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O=C(COc1ccc2cc(C(=O)Nc3ccccc3)ccc2c1)NCc1ccc(OP(=O)(O)O)c(OP(=O)(O)O)c1
Basic Information
| ChEMBL ID | CHEMBL4088092 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SMUYYYBDKASIKY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
602.4
MW (Da)
3.73
ALogP
7
HBA
6
HBD
200.9
PSA (Ų)
0.14
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Signal transducer and activator of transcription 5B CHEMBL5817 | IC50 | 6.81 | 6.81 | 154.0 | 1 |
| Signal transducer and activator of transcription 5A CHEMBL5403 | IC50 | 5.3 | 5.3 | 4970.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Signal transducer and activator of transcription 5B | IC50 | = | 154.0 | nM | 6.81 | Displacement of 5-carboxyfluorescein-GY(PO3H2)LVLDKW from STAT5B SH2 domain (unk... | 28559059 |
| Signal transducer and activator of transcription 5A | IC50 | = | 4970.0 | nM | 5.3 | Displacement of 5-carboxyfluorescein-GY(PO3H2)LVLDKW from C-terminal His6-tagged... | 28559059 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28559059 | 10.1016/j.bmc.2017.05.039 | Signal transducer and activator of transcription 5B | 1 |
| 28559059 | 10.1016/j.bmc.2017.05.039 | Signal transducer and activator of transcription 5A | 1 |
| 28559059 | 10.1016/j.bmc.2017.05.039 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine