Compound Detail
CHEMBL166127
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Basic Information
| ChEMBL ID | CHEMBL166127 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AIASBFLKLNIZOK-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
229.7
MW (Da)
3.28
ALogP
2
HBA
1
HBD
41.6
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Methionine aminopeptidase CHEMBL3423 | IC50 | 5.77 | 5.77 | 1695.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
| Core-binding factor subunit beta CHEMBL1615386 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
| Methionine aminopeptidase 2 CHEMBL3922 | IC50 | 4.74 | 4.74 | 18100.0 | 1 |
| Methionine aminopeptidase 1 CHEMBL2474 | IC50 | 4.31 | 4.31 | 48800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Methionine aminopeptidase | IC50 | = | 1695.0 | nM | 5.77 | Inhibition of Co2+ loaded MetAP expressed in Escherichia coli | 16420038 |
| Unchecked | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of Escherichia coli MetAP | 20621724 |
| Core-binding factor subunit beta | IC50 | = | 2300.0 | nM | 5.64 | FRET Assay: We have developed effective assays to monitor the inhibition of CBFβ... | - |
| Methionine aminopeptidase 2 | IC50 | = | 18100.0 | nM | 4.74 | Inhibition of human MetAP2 expressed in baculovirus infected Sf9 cells | 20621724 |
| Methionine aminopeptidase 1 | IC50 | = | 48800.0 | nM | 4.31 | Inhibition of human MetAP1 | 20621724 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1248/cpb.30.2996 | Echinochloa crus-galli | 3 |
| 16420038 | 10.1021/jm050476z | Methionine aminopeptidase | 2 |
| - | 10.1248/cpb.30.2996 | Eleusine indica | 2 |
| - | 10.1248/cpb.30.2996 | Persicaria hydropiper | 2 |
| - | 10.1248/cpb.30.2996 | Amaranthus viridis | 2 |
| - | 10.1248/cpb.30.2996 | Chenopodium album | 2 |
| 20621724 | 10.1016/j.bmcl.2010.05.093 | Methionine aminopeptidase 2 | 2 |
| 20621724 | 10.1016/j.bmcl.2010.05.093 | Methionine aminopeptidase 1 | 2 |
| 20621724 | 10.1016/j.bmcl.2010.05.093 | Unchecked | 2 |
| - | 10.1248/cpb.30.2996 | Oryza sativa | 1 |
| - | 10.1248/cpb.30.2996 | Cyperus compressus | 1 |
| - | 10.1248/cpb.30.2996 | Panonychus citri | 1 |
| 6772786 | 10.1021/jm00181a007 | Rattus norvegicus | 1 |
| - | 10.1248/cpb.30.2996 | Fusarium fujikuroi | 1 |
| - | 10.1248/cpb.30.2996 | Xanthomonas axonopodis | 1 |
| - | 10.1248/cpb.30.2996 | Pseudoperonospora cubensis | 1 |
| - | 10.1248/cpb.30.2996 | Botrytis cinerea | 1 |
| - | 10.1248/cpb.30.2996 | Pyricularia oryzae | 1 |
| - | 10.1248/cpb.30.2996 | Bacillus subtilis | 1 |
| - | 10.1248/cpb.30.2996 | Pseudomonas aeruginosa | 1 |
Data from ChEMBL 36 via Core Engine