Compound Detail
CHEMBL373576
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Basic Information
| ChEMBL ID | CHEMBL373576 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XFBUODNVNPFENG-AATRIKPKSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
343.4
MW (Da)
4.31
ALogP
5
HBA
1
HBD
80.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Molecular identity unknown CHEMBL612546 | IC50 | 6.2 | 6.2 | 631.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.23 | 4.165 | 59000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Molecular identity unknown | IC50 | = | 630.96 | nM | 6.2 | Inhibition of c-RAF1/MEK1/ERK2 signalling pathway by SPA | 16890436 |
| Unchecked | IC50 | = | 59000.0 | nM | 4.23 | Inhibition of MurF (unknown origin) | 33744441 |
| Unchecked | IC50 | = | 79000.0 | nM | 4.1 | Inhibition of MurE (unknown origin) | 33744441 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33744441 | 10.1016/j.bmcl.2021.127966 | Unchecked | 7 |
| 16890436 | 10.1016/j.bmcl.2006.07.063 | Molecular identity unknown | 1 |
| 33744441 | 10.1016/j.bmcl.2021.127966 | Staphylococcus aureus | 1 |
| 33744441 | 10.1016/j.bmcl.2021.127966 | Escherichia coli | 1 |
Data from ChEMBL 36 via Core Engine