Compound Detail
CHEMBL5759188
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 | CHEMBL5759188 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DYSYUHAHEWMCMM-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
403.5
MW (Da)
1.63
ALogP
9
HBA
2
HBD
113.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.14 | 8.14 | 7.2 | 1 |
| Bifunctional dihydrofolate reductase-thymidylate synthase CHEMBL4614 | IC50 | 7.54 | 7.54 | 28.8 | 1 |
| Dihydrofolate reductase CHEMBL202 | IC50 | 6.02 | 5.94 | 955.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 7.24 | nM | 8.14 | TBD: TBD | - |
| Bifunctional dihydrofolate reductase-thymidylate synthase | IC50 | = | 28.8 | nM | 7.54 | TBD: TBD | - |
| Dihydrofolate reductase | IC50 | = | 955.0 | nM | 6.02 | TBD: TBD | - |
| Dihydrofolate reductase | IC50 | = | 1380.0 | nM | 5.86 | TBD: TBD | - |
Data from ChEMBL 36 via Core Engine