Compound Detail
CHEMBL1673303
(S)-ICLAPRIM Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1673303 |
| Name | (S)-ICLAPRIM |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HWJPWWYTGBZDEG-CQSZACIVSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
354.4
MW (Da)
2.43
ALogP
7
HBA
2
HBD
105.5
PSA (Ų)
0.85
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrofolate reductase CHEMBL1681620 | IC50 | 8.62 | 8.03 | 2.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase | IC50 | = | 2.4 | nM | 8.62 | Inhibition of Staphylococcus aureus wild type recombinant DHFR by MTS assay | 20606069 |
| Dihydrofolate reductase | IC50 | = | 36.3 | nM | 7.44 | Inhibition of Staphylococcus aureus DHFR F98Y mutant by MTS assay | 20606069 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20606069 | 10.1128/aac.00361-10 | Dihydrofolate reductase | 2 |
Data from ChEMBL 36 via Core Engine