Compound Detail
CHEMBL5202247
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CCCC[C@H]1CN(c2cccc(OC(F)(F)F)c2)C(=O)CN1Cc1cncn1Cc1ccc(C(F)(F)F)cc1
Basic Information
| ChEMBL ID | CHEMBL5202247 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YRDZPLVLNXUTEM-QFIPXVFZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
554.5
MW (Da)
6.26
ALogP
5
HBA
0
HBD
50.6
PSA (Ų)
0.29
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.55 | 6.55 | 280.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 280.0 | nM | 6.55 | Inhibition of Cryptococcus neoformans farnesyltransferase assessed as inhibition... | 36218371 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36218371 | 10.1021/acs.jmedchem.2c00902 | Unchecked | 1 |
| 36218371 | 10.1021/acs.jmedchem.2c00902 | Cryptococcus neoformans | 1 |
| 36218371 | 10.1021/acs.jmedchem.2c00902 | Candida albicans | 1 |
| 36218371 | 10.1021/acs.jmedchem.2c00902 | Aspergillus fumigatus | 1 |
Data from ChEMBL 36 via Core Engine