Compound Detail
CHEMBL200238
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Basic Information
| ChEMBL ID | CHEMBL200238 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PJGGWIHXGHQXMM-UHFFFAOYSA-N |
2
Targets
12
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
222.6
MW (Da)
3.30
ALogP
2
HBA
1
HBD
50.4
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 12 meas. best 6.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Methionine aminopeptidase CHEMBL3423 | IC50 | 6.29 | 6.23 | 510.0 | 3 |
| Unchecked CHEMBL612545 | IC50 | 6.22 | 5.5467 | 600.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Methionine aminopeptidase | IC50 | = | 511.0 | nM | 6.29 | Inhibitory activity against Mn(II) form of Escherichia coli MetAP | 16219464 |
| Methionine aminopeptidase | IC50 | = | 510.0 | nM | 6.29 | Inhibition of Escherichia coli methionine aminopeptidase in presence of 100 uM M... | 17948983 |
| Unchecked | IC50 | = | 600.0 | nM | 6.22 | Inhibition of Rickettsia prowazekii str. Madrid E N-terminal His-tagged methioni... | 28089350 |
| Methionine aminopeptidase | IC50 | = | 780.0 | nM | 6.11 | Inhibition of Escherichia coli methionine aminopeptidase in presence of 5 uM Man... | 17948983 |
| Unchecked | IC50 | = | 2400.0 | nM | 5.62 | Inhibition of Rickettsia prowazekii Methionine aminopeptidase 1 | 37031729 |
| Unchecked | IC50 | = | 16000.0 | nM | 4.8 | Inhibition of Mycobacterium tuberculosis H37Rv MetAP1c in presence of 50 uM Mn(2... | 20038112 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17948983 | 10.1021/jm700930k | Methionine aminopeptidase | 6 |
| 20038112 | 10.1021/jm901624n | Unchecked | 6 |
| 16219464 | 10.1016/j.bmcl.2005.09.019 | Methionine aminopeptidase | 4 |
| 20207144 | 10.1016/j.bmcl.2010.02.052 | Unchecked | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 24376907 | 10.1021/ml400034m | Unchecked | 1 |
| 28089350 | 10.1016/j.bmc.2016.11.013 | Unchecked | 1 |
| 28089350 | 10.1016/j.bmc.2016.11.013 | NON-PROTEIN TARGET | 1 |
| 28089350 | 10.1016/j.bmc.2016.11.013 | Rattus norvegicus | 1 |
| 29940465 | 10.1016/j.ejmech.2018.06.033 | Unchecked | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 37031729 | 10.1016/j.bmcl.2023.129281 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine