Compound Detail
CHEMBL2147195
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
COC(=O)c1ccc2c3nc(N4CCC[C@@H](N)C4)n(Cc4ccccc4Cl)c3c(=O)n(C)c2c1.Cl
Basic Information
| ChEMBL ID | CHEMBL2147195 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LSDVIAGDXYEUGF-UNTBIKODSA-N |
| Parent Compound | CHEMBL2220252 |
| Active Moiety | CHEMBL2220252 |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
480.0
MW (Da)
3.30
ALogP
8
HBA
1
HBD
95.4
PSA (Ų)
0.45
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 90.0 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 16.0 | nM | 7.8 | Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetri... | 22938786 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25596166 | 10.1016/j.bmc.2014.12.051 | ADMET | 6 |
| 25596166 | 10.1016/j.bmc.2014.12.051 | Serum | 4 |
| 22938786 | 10.1016/j.bmc.2012.07.046 | Dipeptidyl peptidase 4 | 1 |
| 25596166 | 10.1016/j.bmc.2014.12.051 | Rattus norvegicus | 1 |
| 25596166 | 10.1016/j.bmc.2014.12.051 | Plasma | 1 |
Data from ChEMBL 36 via Core Engine