Compound Detail
CHEMBL1092710
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O=S(=O)(O)c1cc2c(O)c(c1)Cc1cc(S(=O)(=O)O)cc(c1O)Cc1cc(S(=O)(=O)O)cc(c1O)Cc1cc(S(=O)(=O)O)cc(c1O)C2
Basic Information
| ChEMBL ID | CHEMBL1092710 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JFYBCAFLVNKHHG-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
744.8
MW (Da)
2.17
ALogP
12
HBA
8
HBD
298.4
PSA (Ų)
0.12
QED
3
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inhibitor of growth protein 2 CHEMBL3784904 | Kd | 7.82 | 7.82 | 15.0 | 1 |
| Unchecked CHEMBL612545 | Kd | 4.81 | 4.69 | 15600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Inhibitor of growth protein 2 | Kd | = | 15.0 | nM | 7.82 | Binding affinity to 15N-labeled GST-tagged ING2 PHD finger domain (212 to 264 re... | 28478342 |
| Unchecked | Kd | = | 15600.0 | nM | 4.81 | Binding affinity to Methyl-lysine (unknown origin) assessed as dissociation cons... | 38070431 |
| Unchecked | Kd | = | 27000.0 | nM | 4.57 | Binding affinity to trimethyl-lysine (unknown origin) assessed as dissociation c... | 38070431 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19827835 | 10.1021/jm900811z | Unchecked | 12 |
| 38070431 | 10.1016/j.ejmech.2023.115994 | Unchecked | 2 |
| 28478342 | 10.1016/j.ejmech.2017.04.047 | Inhibitor of growth protein 2 | 1 |
Data from ChEMBL 36 via Core Engine