Compound Detail
CHEMBL4796138
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Cc1ccc(CN2C(=O)/C(=C/c3ccc(OCC(=O)O)cc3OCC(=O)O)c3ccc(-c4ccc(C)cc4)cc32)cc1
Basic Information
| ChEMBL ID | CHEMBL4796138 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QSNCOFGMXKXFND-WKULSOCRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
563.6
MW (Da)
5.98
ALogP
5
HBA
2
HBD
113.4
PSA (Ų)
0.23
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.04 | 6.04 | 920.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 920.0 | nM | 6.04 | 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 | 8 |
| 32623209 | 10.1016/j.ejmech.2020.112515 | Candida albicans | 8 |
| 32623209 | 10.1016/j.ejmech.2020.112515 | Candida tropicalis | 4 |
Data from ChEMBL 36 via Core Engine