Compound Detail
CHEMBL4784122
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
Basic Information
| ChEMBL ID | CHEMBL4784122 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CTDDWEHVCFADKZ-SSDOTTSWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
249.4
MW (Da)
0.54
ALogP
4
HBA
3
HBD
57.6
PSA (Ų)
0.64
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.12 | 4.12 | 75000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 75000.0 | nM | 4.12 | Inhibition of recombinant N-terminal His/MBP-tagged NDM-1 (unknown origin) expre... | 33302045 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33302045 | 10.1016/j.bmc.2020.115902 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine