Compound Detail
CHEMBL146622
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Basic Information
| ChEMBL ID | CHEMBL146622 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TVDRYAAIACCHQM-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
280.3
MW (Da)
1.83
ALogP
6
HBA
2
HBD
94.0
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrofolate reductase CHEMBL1809 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of dihydrofolate reductase from pneumocystis carinii. | 14584957 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14584957 | 10.1021/jm030312n | Dihydrofolate reductase | 3 |
| 14584957 | 10.1021/jm030312n | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine