Compound Detail
CHEMBL199925
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Basic Information
| ChEMBL ID | CHEMBL199925 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ITFXYBZUPPBWEC-UHFFFAOYSA-N |
4
Targets
7
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
210.2
MW (Da)
2.21
ALogP
3
HBA
2
HBD
67.6
PSA (Ų)
0.60
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.01
EC50 2 meas. best 4.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Methionine aminopeptidase CHEMBL3423 | IC50 | 6.01 | 6.01 | 967.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.01 | 5.3667 | 970.0 | 3 |
| Methionine aminopeptidase 2 CHEMBL3922 | IC50 | 5.03 | 5.03 | 9300.0 | 1 |
| Heat shock factor protein 1 CHEMBL5313 | EC50 | 4.63 | 4.63 | 23212.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.61 | 4.61 | 24607.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Methionine aminopeptidase | IC50 | = | 967.0 | nM | 6.01 | Inhibition of Co2+ loaded MetAP expressed in Escherichia coli | 16420038 |
| Unchecked | IC50 | = | 970.0 | nM | 6.01 | Inhibition of Escherichia coli MetAP | 20621724 |
| Unchecked | IC50 | = | 4900.0 | nM | 5.31 | Inhibition of Staphylococcus aureus MetAP | 20621724 |
| Methionine aminopeptidase 2 | IC50 | = | 9300.0 | nM | 5.03 | Inhibition of human MetAP2 expressed in baculovirus infected Sf9 cells | 20621724 |
| Unchecked | IC50 | = | 16700.0 | nM | 4.78 | PubChem BioAssay. Dose Response confirmation of small molecule inhibitors origin... | - |
| Heat shock factor protein 1 | EC50 | = | 23212.0 | nM | 4.63 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Unchecked | EC50 | = | 24607.0 | nM | 4.61 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Activato... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20621724 | 10.1016/j.bmcl.2010.05.093 | Unchecked | 3 |
| 16420038 | 10.1021/jm050476z | Methionine aminopeptidase | 2 |
| 20621724 | 10.1016/j.bmcl.2010.05.093 | Methionine aminopeptidase 2 | 2 |
| 20621724 | 10.1016/j.bmcl.2010.05.093 | Methionine aminopeptidase 1 | 1 |
| 38318365 | 10.1016/j.isci.2024.108907 | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | 1 |
Data from ChEMBL 36 via Core Engine