Compound Detail
CHEMBL33696
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Basic Information
| ChEMBL ID | CHEMBL33696 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VQRSVBFYTHVYJT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
277.3
MW (Da)
0.89
ALogP
7
HBA
2
HBD
98.5
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrofolate reductase CHEMBL2575 | Ki | 6.01 | 6.01 | 977.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase | Ki | = | 977.24 | nM | 6.01 | Inhibitory activity against isolated chicken liver dihydrofolate reductase (DHFR... | 6420569 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6420569 | 10.1021/jm00368a006 | Dihydrofolate reductase | 1 |
Data from ChEMBL 36 via Core Engine