Compound Detail
CHEMBL5881243
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N[C@H]1C[C@@H](N2CCN(c3ncc(N4CCC(O)(C(=O)NCc5cccc(F)c5F)C4=O)cn3)CC2)CO[C@@H]1c1cc(F)ccc1F
Basic Information
| ChEMBL ID | CHEMBL5881243 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VBUWQVASCOSYOA-STVPDISBSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
643.6
MW (Da)
1.80
ALogP
9
HBA
3
HBD
137.2
PSA (Ų)
0.26
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 7.79 | 7.79 | 16.4 | 1 |
| Dipeptidyl peptidase 4 CHEMBL3883 | IC50 | 7.49 | 7.49 | 32.5 | 1 |
| Methionine aminopeptidase 2 CHEMBL1075272 | IC50 | 6.99 | 6.99 | 103.0 | 1 |
| Methionine aminopeptidase 2 CHEMBL3922 | IC50 | 6.81 | 6.81 | 155.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 16.4 | nM | 7.79 | Enzymatic Activity Assay of DPP-4: Human DPP-4 ((39-766)-His) and mouse DPP-4 ((... | - |
| Dipeptidyl peptidase 4 | IC50 | = | 32.5 | nM | 7.49 | Enzymatic Activity Assay of DPP-4: Human DPP-4 ((39-766)-His) and mouse DPP-4 ((... | - |
| Methionine aminopeptidase 2 | IC50 | = | 103.0 | nM | 6.99 | Enzymatic Activity Assay of MetAP2: The compounds exemplified herein are tested ... | - |
| Methionine aminopeptidase 2 | IC50 | = | 155.0 | nM | 6.81 | Enzymatic Activity Assay of MetAP2: The compounds exemplified herein are tested ... | - |
Data from ChEMBL 36 via Core Engine