Compound Detail
CHEMBL2419349
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Basic Information
| ChEMBL ID | CHEMBL2419349 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PEKVXUBDORIMOH-JTQLQIEISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
292.2
MW (Da)
1.21
ALogP
6
HBA
3
HBD
125.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.02 | 4.02 | 94900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 94900.0 | nM | 4.02 | Inhibition of NDM-1 (unknown origin) expressed in Escherichia coli BL21 using me... | 23972215 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23972215 | 10.1021/np4000944 | Klebsiella pneumoniae | 3 |
| 23972215 | 10.1021/np4000944 | Influenza A virus | 2 |
| 23972215 | 10.1021/np4000944 | HCT-8 | 1 |
| 23972215 | 10.1021/np4000944 | KETR3 | 1 |
| 23972215 | 10.1021/np4000944 | Bel-7402 | 1 |
| 23972215 | 10.1021/np4000944 | MCF7 | 1 |
| 23972215 | 10.1021/np4000944 | BGC-823 | 1 |
| 23972215 | 10.1021/np4000944 | A549 | 1 |
| 23972215 | 10.1021/np4000944 | Coxsackievirus B3 | 1 |
| 23972215 | 10.1021/np4000944 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine