Compound Detail
CHEMBL4784752
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Cc1ccc(N2N=C(c3ccccc3)/C(=C/c3ccc(OCC(=O)O)cc3OCC(=O)O)C2=O)cc1
Basic Information
| ChEMBL ID | CHEMBL4784752 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BDLKXPOQELYEQM-XKZIYDEJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
486.5
MW (Da)
3.76
ALogP
6
HBA
2
HBD
125.7
PSA (Ų)
0.44
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.87 | 4.87 | 13530.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 13530.0 | nM | 4.87 | Inhibition of recombinant Candida albicans SAP2 using Dabcyl-Arg-Lys-Pro-Ala-Leu... | 32623209 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32623209 | 10.1016/j.ejmech.2020.112515 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine