Compound Detail
CHEMBL5859631
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
N[C@H]1C[C@@H](n2cc(N3CCC(O)(C(=O)NCc4cc(Cl)cc(Cl)c4)C3=O)cn2)CO[C@@H]1c1cc(F)ccc1F
Basic Information
| ChEMBL ID | CHEMBL5859631 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UYXAPGZGTCWPHK-PWXANOGISA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
580.4
MW (Da)
3.28
ALogP
7
HBA
3
HBD
122.7
PSA (Ų)
0.39
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL3883 | IC50 | 9.32 | 9.32 | 0.5 | 1 |
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 8.72 | 8.72 | 1.9 | 1 |
| Methionine aminopeptidase 2 CHEMBL1075272 | IC50 | 6.91 | 6.91 | 123.0 | 1 |
| Methionine aminopeptidase 2 CHEMBL3922 | IC50 | 6.58 | 6.58 | 261.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 0.474 | nM | 9.32 | Enzymatic Activity Assay of DPP-4: Human DPP-4 ((39-766)-His) and mouse DPP-4 ((... | - |
| Dipeptidyl peptidase 4 | IC50 | = | 1.91 | nM | 8.72 | Enzymatic Activity Assay of DPP-4: Human DPP-4 ((39-766)-His) and mouse DPP-4 ((... | - |
| Methionine aminopeptidase 2 | IC50 | = | 123.0 | nM | 6.91 | Enzymatic Activity Assay of MetAP2: The compounds exemplified herein are tested ... | - |
| Methionine aminopeptidase 2 | IC50 | = | 261.0 | nM | 6.58 | Enzymatic Activity Assay of MetAP2: The compounds exemplified herein are tested ... | - |
Data from ChEMBL 36 via Core Engine