Compound Detail
CHEMBL5772856
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)NCC#Cc1cc2cc(NC(=O)[C@@H]3CCCN3C(=O)[C@H](NC(=O)OC(C)(C)C)c3ccccc3)ccc2[nH]1
Basic Information
| ChEMBL ID | CHEMBL5772856 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VLTILDQPMYQBPI-RRPNLBNLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
557.6
MW (Da)
3.85
ALogP
5
HBA
4
HBD
132.6
PSA (Ų)
0.34
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.5 | 6.5 | 317.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 317.0 | nM | 6.5 | Measuring Compound Inhibitory Potency: Measurement of inhibition by compounds wa... | - |
Data from ChEMBL 36 via Core Engine