Compound Detail
CHEMBL3234321
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Basic Information
| ChEMBL ID | CHEMBL3234321 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FVPBFFSSCFYKLN-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
342.4
MW (Da)
4.03
ALogP
4
HBA
2
HBD
77.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Dihydrofolate reductase CHEMBL2329 | IC50 | 7.64 | 7.64 | 23.0 | 1 |
| Dihydrofolate reductase CHEMBL202 | IC50 | 6.76 | 6.76 | 174.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 6.0 | nM | 8.22 | Inhibition of Candida glabrata DHFR using dihydrofolate as substrate preincubate... | 24568657 |
| Dihydrofolate reductase | IC50 | = | 23.0 | nM | 7.64 | Inhibition of Candida albicans DHFR using dihydrofolate as substrate preincubate... | 24568657 |
| Dihydrofolate reductase | IC50 | = | 174.0 | nM | 6.76 | Inhibition of human DHFR using dihydrofolate as substrate preincubated for 5 min... | 24568657 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24568657 | 10.1021/jm401916j | Unchecked | 3 |
| 24568657 | 10.1021/jm401916j | Dihydrofolate reductase | 2 |
| 24568657 | 10.1021/jm401916j | Nakaseomyces glabratus | 1 |
| 24568657 | 10.1021/jm401916j | Candida albicans | 1 |
| 24568657 | 10.1021/jm401916j | MCF10 | 1 |
Data from ChEMBL 36 via Core Engine