Compound Detail
CHEMBL440982
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
CC(=O)Nc1ccc(OP(=O)(Oc2ccc(NC(C)=O)cc2)C2c3ccccc3CN2C(=O)[C@@H](N)CCCCN)cc1
Basic Information
| ChEMBL ID | CHEMBL440982 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MKKBABAOGFLBRQ-MBCWZBCWSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
593.6
MW (Da)
4.75
ALogP
8
HBA
4
HBD
166.1
PSA (Ų)
0.17
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.28
Kd 1 meas. best 6.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 8 CHEMBL4657 | IC50 | 6.28 | 6.28 | 530.0 | 1 |
| Dipeptidyl peptidase 8 CHEMBL4657 | Kd | 6.11 | 6.11 | 770.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 8 | IC50 | = | 530.0 | nM | 6.28 | Inhibition of human DPP8 | 17958345 |
| Dipeptidyl peptidase 8 | Kd | = | 770.0 | nM | 6.11 | Inhibition of human DPP8 | 17958345 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17958345 | 10.1021/jm701005a | Dipeptidyl peptidase 8 | 4 |
| 17958345 | 10.1021/jm701005a | Dipeptidyl peptidase 4 | 1 |
| 17958345 | 10.1021/jm701005a | Dipeptidyl peptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine