Compound Detail
CHEMBL472879
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Basic Information
| ChEMBL ID | CHEMBL472879 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HIUOABSWQSUEGK-UHFFFAOYSA-N |
9
Targets
25
Activities
3
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
324.8
MW (Da)
4.16
ALogP
4
HBA
1
HBD
50.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 14 meas. best 6.96
EC50 8 meas. best 6.72
Ki 3 meas. best 6.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.96 | 5.5975 | 110.0 | 4 |
| Methionine aminopeptidase 1 CHEMBL2474 | EC50 | 6.72 | 5.8967 | 190.0 | 3 |
| Leishmania donovani CHEMBL367 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.29 | 5.8633 | 510.0 | 3 |
| Methionine aminopeptidase 1 CHEMBL2474 | IC50 | 6.16 | 6.115 | 700.0 | 2 |
| Plasmodium falciparum CHEMBL364 | IC50 | 6.05 | 5.5925 | 900.0 | 4 |
| Plasmodium falciparum CHEMBL364 | EC50 | 5.9 | 5.86 | 1251.0 | 2 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 5.44 | 5.44 | 3600.0 | 1 |
| Methionine aminopeptidase 2 CHEMBL3922 | IC50 | 5.16 | 5.105 | 7000.0 | 2 |
| HeLa CHEMBL399 | EC50 | 5.15 | 5.15 | 7100.0 | 1 |
| HUVEC CHEMBL613979 | EC50 | 4.96 | 4.96 | 11000.0 | 1 |
| L6 CHEMBL614793 | IC50 | 4.59 | 4.59 | 25500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine