Compound Detail
CHEMBL3234115
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3234115 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PFZXPVFWXCUAJW-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
358.4
MW (Da)
3.78
ALogP
5
HBA
2
HBD
87.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrofolate reductase CHEMBL3988594 | IC50 | 7.64 | 7.64 | 23.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
| Dihydrofolate reductase CHEMBL2329 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Dihydrofolate reductase CHEMBL1681620 | IC50 | 7.12 | 7.12 | 75.0 | 1 |
| Dihydrofolate reductase CHEMBL202 | IC50 | 7.01 | 7.01 | 97.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase | IC50 | = | 23.0 | nM | 7.64 | Enzyme Inhibition Assay: Heterocyclic analogs of propargyl-linked inhibitors of ... | - |
| Unchecked | IC50 | = | 28.0 | nM | 7.55 | Inhibition of Candida glabrata DHFR using dihydrofolate as substrate preincubate... | 24568657 |
| Dihydrofolate reductase | IC50 | = | 30.0 | nM | 7.52 | Inhibition of Candida albicans DHFR using dihydrofolate as substrate preincubate... | 24568657 |
| Dihydrofolate reductase | IC50 | = | 75.0 | nM | 7.12 | Enzyme Inhibition Assay: Heterocyclic analogs of propargyl-linked inhibitors of ... | - |
| Dihydrofolate reductase | IC50 | = | 97.0 | nM | 7.01 | Enzyme Inhibition Assay: Heterocyclic analogs of propargyl-linked inhibitors of ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24568657 | 10.1021/jm401916j | Unchecked | 1 |
| 24568657 | 10.1021/jm401916j | Dihydrofolate reductase | 1 |
| 24568657 | 10.1021/jm401916j | Nakaseomyces glabratus | 1 |
| 24568657 | 10.1021/jm401916j | Candida albicans | 1 |
Data from ChEMBL 36 via Core Engine