Compound Detail
CHEMBL5861127
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C[S@](=N)(=O)c1cccc(N2CC[C@](O)(C(=O)NCc3cc(F)cc(Cl)c3)C2=O)c1
Basic Information
| ChEMBL ID | CHEMBL5861127 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LIGPHTGXLSGQFY-SLQAJWMNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
439.9
MW (Da)
2.30
ALogP
5
HBA
3
HBD
110.6
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Methionine aminopeptidase 2 CHEMBL3922 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Methionine aminopeptidase 2 | IC50 | = | 250.0 | nM | 6.6 | Activity Assay: The MetAP-2 activity is determined by coupling enzymatic reactio... | - |
Data from ChEMBL 36 via Core Engine