Compound Detail
CHEMBL5888387
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O=CNCCCCNC(=O)c1cc2cc(N3CC[C@](O)(C(=O)NCc4cc(F)cc(Cl)c4)C3=O)ccc2[nH]1
Basic Information
| ChEMBL ID | CHEMBL5888387 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CJNAVSSCXXVXGB-SANMLTNESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
544.0
MW (Da)
2.00
ALogP
5
HBA
5
HBD
143.6
PSA (Ų)
0.14
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Methionine aminopeptidase 2 CHEMBL3922 | IC50 | 7.17 | 7.17 | 68.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Methionine aminopeptidase 2 | IC50 | = | 68.0 | nM | 7.17 | Activity Assay: The MetAP-2 activity is determined by coupling enzymatic reactio... | - |
Data from ChEMBL 36 via Core Engine