Compound Detail
CHEMBL4861407
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Basic Information
| ChEMBL ID | CHEMBL4861407 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YMEOXCHUZHPXLQ-BHQIHCQQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
253.2
MW (Da)
0.53
ALogP
5
HBA
2
HBD
103.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.03 | 4.03 | 94000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 94000.0 | nM | 4.03 | Inhibition of Escherichia coli recombinant his-tagged DHDPS using (S)-aspartate-... | 34826680 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34826680 | 10.1016/j.bmc.2021.116518 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine