Compound Detail
CHEMBL3263912
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Basic Information
| ChEMBL ID | CHEMBL3263912 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HASHGPVYDUSVML-CFRMEGHHSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
411.5
MW (Da)
5.30
ALogP
5
HBA
2
HBD
71.7
PSA (Ų)
0.44
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.57
Ki 1 meas. best 4.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.57 | 5.57 | 2700.0 | 1 |
| Metallo-beta-lactamase type 2 CHEMBL5465386 | Ki | 4.77 | 4.77 | 17000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2700.0 | nM | 5.57 | Inhibition of HCV J4 genotype 1b NS5Bdelta21 polymerase using homopolymeric RNA ... | 24835816 |
| Metallo-beta-lactamase type 2 | Ki | = | 17000.0 | nM | 4.77 | Competitive inhibition of NDM-1 using imipenem as substrate by spectrophotometri... | 38109811 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24835816 | 10.1016/j.ejmech.2014.04.005 | Unchecked | 2 |
| 38109811 | 10.1016/j.bmc.2023.117559 | Metallo-beta-lactamase type 2 | 2 |
| 38109811 | 10.1016/j.bmc.2023.117559 | Unchecked | 2 |
| 38109811 | 10.1016/j.bmc.2023.117559 | Escherichia coli | 2 |
| 38109811 | 10.1016/j.bmc.2023.117559 | Klebsiella pneumoniae | 1 |
Data from ChEMBL 36 via Core Engine