Compound Detail
CHEMBL4097481
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Basic Information
| ChEMBL ID | CHEMBL4097481 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DNRKHSWQNBHGKQ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
300.3
MW (Da)
2.10
ALogP
4
HBA
3
HBD
116.6
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
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 | 6.015 | 930.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 930.0 | nM | 6.03 | Inhibition of bacterial MBP-fused NDM1 expressed in Escherichia coli BL21(DE3) a... | 28809565 |
| Unchecked | IC50 | = | 990.0 | nM | 6.0 | Inhibition of bacterial MBP-fused NDM1 expressed in Escherichia coli BL21(DE3) a... | 28809565 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28809565 | 10.1021/acs.jmedchem.7b00407 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine