Compound Detail
CHEMBL4751195
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)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)CNc1ccc2oc(-c3ccc(N(C)C)cc3)nc2c1)C(C)C
Basic Information
| ChEMBL ID | CHEMBL4751195 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GXYKYWQZALWLJR-RZOIZYEBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
767.8
MW (Da)
0.97
ALogP
12
HBA
8
HBD
286.7
PSA (Ų)
0.07
QED
3
Ro5 Violations
21
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 10.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Caspase-3 CHEMBL2334 | Ki | 10.1 | 10.1 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Caspase-3 | Ki | = | 0.08 | nM | 10.1 | Inhibition of caspase-3 (unknown origin) using Ac-DEVD-AMCA as substrate incubat... | 32539387 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32539387 | 10.1021/acs.jmedchem.0c00242 | Caspase-3 | 1 |
Data from ChEMBL 36 via Core Engine