Compound Detail
CHEMBL1502273
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Basic Information
| ChEMBL ID | CHEMBL1502273 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PFLKBQKEXBSCDQ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
296.4
MW (Da)
4.48
ALogP
1
HBA
2
HBD
44.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.03 | 5.955 | 940.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 940.0 | nM | 6.03 | PUBCHEM_BIOASSAY: High Throughput Screening Assay used to Identify Novel Compoun... | - |
| Unchecked | IC50 | = | 1320.0 | nM | 5.88 | PUBCHEM_BIOASSAY: A High Throughput Confirmatory Assay used to Identify Novel Co... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23611124 | 10.1021/jm4003878 | Vero | 1 |
| 23611124 | 10.1021/jm4003878 | Mycobacterium tuberculosis | 1 |
Data from ChEMBL 36 via Core Engine