Compound Detail
CHEMBL388471
CUPFERRON Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL388471 |
| Name | CUPFERRON |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DAHPIMYBWVSMKQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
138.1
MW (Da)
1.56
ALogP
3
HBA
1
HBD
52.9
PSA (Ų)
0.50
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mandelate racemase CHEMBL4739 | Ki | 5.57 | 5.57 | 2670.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mandelate racemase | Ki | = | 2670.0 | nM | 5.57 | Inhibition of mandelate racemase in Pseudomonas putida | 17055725 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17055725 | 10.1016/j.bmcl.2006.09.079 | Mandelate racemase | 1 |
| 19272677 | 10.1016/j.ejmech.2009.02.014 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine