Compound Detail
CHEMBL230938
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
O=C([C@@H]1Cc2ccc(-c3cccc(-c4nnn[nH]4)c3)cc2CN1)N1CC[C@H](F)C1
Basic Information
| ChEMBL ID | CHEMBL230938 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XBWNUNHLYKHRFT-OALUTQOASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
392.4
MW (Da)
2.12
ALogP
5
HBA
2
HBD
86.8
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 6.51 | 6.51 | 310.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 310.0 | nM | 6.51 | Inhibition of DPP4 | 17337342 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17337342 | 10.1016/j.bmcl.2007.02.040 | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine