Compound Detail
CHEMBL33558
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 | CHEMBL33558 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IHLMFJNDHCQZGA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
379.5
MW (Da)
3.75
ALogP
6
HBA
2
HBD
89.2
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrofolate reductase CHEMBL2575 | Ki | 7.24 | 7.24 | 57.5 | 1 |
| Dihydrofolate reductase CHEMBL2902 | Ki | 6.45 | 6.45 | 354.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase | Ki | = | 57.54 | nM | 7.24 | Inhibitory activity against isolated chicken liver dihydrofolate reductase (DHFR... | 6420569 |
| Dihydrofolate reductase | Ki | = | 354.81 | nM | 6.45 | Inhibitory activity against Lactobacillus casei dihydrofolate reductase (DHFR) | 6420569 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3934385 | 10.1021/jm00150a026 | Escherichia coli | 2 |
| 6699880 | 10.1021/jm00369a019 | Dihydrofolate reductase | 2 |
| 6420569 | 10.1021/jm00368a006 | Dihydrofolate reductase | 2 |
| 6796688 | 10.1021/jm00144a010 | Dihydrofolate reductase | 1 |
| 6796688 | 10.1021/jm00144a010 | Lacticaseibacillus casei | 1 |
| 7057420 | 10.1021/jm00344a012 | L5178Y | 1 |
| 7057421 | 10.1021/jm00344a013 | L5178Y | 1 |
| 3934385 | 10.1021/jm00150a026 | Dihydrofolate reductase type 1 | 1 |
Data from ChEMBL 36 via Core Engine