Compound Detail
CHEMBL245136
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Basic Information
| ChEMBL ID | CHEMBL245136 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CBUUEZPMVUFWCA-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
344.4
MW (Da)
3.79
ALogP
5
HBA
0
HBD
45.4
PSA (Ų)
0.55
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.26 | 4.815 | 5547.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 5547.0 | nM | 5.26 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Inhibitors of Mycobacterium... | - |
| Unchecked | IC50 | = | 42500.0 | nM | 4.37 | Inhibition of Escherichia coli primase by scintillation proximity assay | 17350255 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17350255 | 10.1016/j.bmcl.2007.02.056 | Unchecked | 1 |
| 17350255 | 10.1016/j.bmcl.2007.02.056 | Escherichia coli | 1 |
Data from ChEMBL 36 via Core Engine