Compound Detail
CHEMBL1091556
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Basic Information
| ChEMBL ID | CHEMBL1091556 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZBQGQODXTZYKLE-CAOOACKPSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
353.6
MW (Da)
3.57
ALogP
3
HBA
2
HBD
61.7
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.09
EC50 2 meas. best 5.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.83 | 5.83 | 1490.0 | 1 |
| Aminopeptidase N CHEMBL4117 | IC50 | 5.09 | 5.09 | 8060.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.08 | 4.08 | 82784.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 1490.0 | nM | 5.83 | PUBCHEM_BIOASSAY: A cytotoxicity screen of small molecule inhibitors of the PhoP... | - |
| Aminopeptidase N | IC50 | = | 8060.0 | nM | 5.09 | PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M1- Family Alanyl Aminopep... | - |
| Unchecked | IC50 | = | 82784.0 | nM | 4.08 | PUBCHEM_BIOASSAY: A screen for inhibitors of the PhoP region in Salmonella Typhi... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20219378 | 10.1016/j.bmc.2010.02.022 | Unchecked | 8 |
| 20219378 | 10.1016/j.bmc.2010.02.022 | Escherichia coli | 2 |
| 20219378 | 10.1016/j.bmc.2010.02.022 | Yersinia pseudotuberculosis | 2 |
| 20219378 | 10.1016/j.bmc.2010.02.022 | ADMET | 2 |
| 20219378 | 10.1016/j.bmc.2010.02.022 | Chlamydia trachomatis | 1 |
Data from ChEMBL 36 via Core Engine