Compound Detail
CHEMBL133360
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Basic Information
| ChEMBL ID | CHEMBL133360 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UYEHZVYJLCINRQ-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
206.2
MW (Da)
-0.08
ALogP
4
HBA
2
HBD
70.7
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 4 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrofolate reductase CHEMBL202 | Kd | 5.72 | 4.9975 | 1900.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase | Kd | = | 1900.0 | nM | 5.72 | Apparent dissociation constant at pH 6.6 for human dihydrofolate reductase in th... | 7990119 |
| Dihydrofolate reductase | Kd | = | 10000.0 | nM | 5.0 | Apparent dissociation constant at pH 6.6 for Chicken dihydrofolate reductase in ... | 7990119 |
| Dihydrofolate reductase | Kd | = | 16000.0 | nM | 4.8 | Apparent dissociation constant at pH 6.6 for Chicken dihydrofolate reductase in ... | 7990119 |
| Dihydrofolate reductase | Kd | = | 34000.0 | nM | 4.47 | Apparent dissociation constant at pH 6.6 for human dihydrofolate reductase in th... | 7990119 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7990119 | 10.1021/jm00050a017 | Dihydrofolate reductase | 6 |
Data from ChEMBL 36 via Core Engine