Compound Detail
CHEMBL148577
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Basic Information
| ChEMBL ID | CHEMBL148577 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BEAJEDLRWCEAET-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
392.4
MW (Da)
3.39
ALogP
7
HBA
3
HBD
112.0
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrofolate reductase CHEMBL5457 | IC50 | 9.06 | 9.06 | 0.9 | 1 |
| Dihydrofolate reductase CHEMBL202 | IC50 | 8.44 | 8.44 | 3.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase | IC50 | = | 0.88 | nM | 9.06 | Antimycobacterial activity against Mycobacterium avium complex dihydrofolate red... | 11754578 |
| Dihydrofolate reductase | IC50 | = | 3.6 | nM | 8.44 | Antimycobacterial activity against human dihydrofolate reductase (hDHFR) | 11754578 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11754578 | 10.1021/jm010360c | Dihydrofolate reductase | 4 |
Data from ChEMBL 36 via Core Engine