Compound Detail
CHEMBL30999
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Basic Information
| ChEMBL ID | CHEMBL30999 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AGDIUGSJHACPPR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
383.2
MW (Da)
1.47
ALogP
7
HBA
3
HBD
133.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrofolate reductase CHEMBL1809 | Ki | 8.8 | 8.8 | 1.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase | Ki | = | 1.585 | nM | 8.8 | Inhibition constant against binding of Escherichia coli dihydrofolate reductase | 3290487 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3290487 | 10.1021/jm00402a025 | Dihydrofolate reductase | 1 |
Data from ChEMBL 36 via Core Engine