Compound Detail
CHEMBL20480
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 | CHEMBL20480 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RWXWLTHUGRWMRC-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
337.4
MW (Da)
2.76
ALogP
6
HBA
2
HBD
89.2
PSA (Ų)
0.90
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.71
EC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrofolate reductase CHEMBL1926 | Ki | 7.71 | 7.71 | 19.5 | 1 |
| Dihydrofolate reductase CHEMBL2575 | Ki | 7.14 | 7.14 | 72.4 | 1 |
| Bifunctional dihydrofolate reductase-thymidylate synthase CHEMBL4614 | Ki | 6.37 | 6.37 | 426.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase | Ki | = | 19.5 | nM | 7.71 | Inhibition of dihydrofolate reductase (DHFR) from Pneumocystis carinii. | 7699713 |
| Dihydrofolate reductase | Ki | = | 72.44 | nM | 7.14 | Inhibitory activity against isolated chicken liver dihydrofolate reductase (DHFR... | 6420569 |
| Bifunctional dihydrofolate reductase-thymidylate synthase | Ki | = | 426.58 | nM | 6.37 | Inhibition of dihydrofolate reductase (DHFR) from Leishmania major | 3599028 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3934385 | 10.1021/jm00150a026 | Escherichia coli | 2 |
| 6699880 | 10.1021/jm00369a019 | Dihydrofolate reductase | 2 |
| 7699713 | 10.1021/jm00006a016 | Dihydrofolate reductase | 1 |
| 3599028 | 10.1021/jm00390a017 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1 |
| 3599028 | 10.1021/jm00390a017 | Leishmania major | 1 |
| 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 |
| 6420569 | 10.1021/jm00368a006 | Dihydrofolate reductase | 1 |
Data from ChEMBL 36 via Core Engine