Compound Detail
CHEMBL5861052
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N[C@H]1C[C@@H](N2CC=C(c3ncc(N4CC[C@](O)(C(=O)NCc5cc(F)cc(Cl)c5)C4=O)cn3)CC2)CO[C@@H]1c1cc(F)ccc1F
Basic Information
| ChEMBL ID | CHEMBL5861052 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WDNVNCPECUHEGM-DODPDUHYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
657.1
MW (Da)
3.28
ALogP
8
HBA
3
HBD
133.9
PSA (Ų)
0.33
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 7.83 | 7.83 | 14.7 | 1 |
| Dipeptidyl peptidase 4 CHEMBL3883 | IC50 | 7.59 | 7.59 | 25.5 | 1 |
| Methionine aminopeptidase 2 CHEMBL1075272 | IC50 | 6.55 | 6.55 | 283.0 | 1 |
| Methionine aminopeptidase 2 CHEMBL3922 | IC50 | 6.37 | 6.37 | 430.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 14.7 | nM | 7.83 | Enzymatic Activity Assay of DPP-4: Human DPP-4 ((39-766)-His) and mouse DPP-4 ((... | - |
| Dipeptidyl peptidase 4 | IC50 | = | 25.5 | nM | 7.59 | Enzymatic Activity Assay of DPP-4: Human DPP-4 ((39-766)-His) and mouse DPP-4 ((... | - |
| Methionine aminopeptidase 2 | IC50 | = | 283.0 | nM | 6.55 | Enzymatic Activity Assay of MetAP2: The compounds exemplified herein are tested ... | - |
| Methionine aminopeptidase 2 | IC50 | = | 430.0 | nM | 6.37 | Enzymatic Activity Assay of MetAP2: The compounds exemplified herein are tested ... | - |
Data from ChEMBL 36 via Core Engine