Compound Detail
CHEMBL73267
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Basic Information
| ChEMBL ID | CHEMBL73267 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AWTWWFPVTXYYSK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
455.4
MW (Da)
-0.61
ALogP
10
HBA
6
HBD
227.5
PSA (Ų)
0.24
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrofolate reductase CHEMBL202 | IC50 | 8.23 | 8.23 | 5.9 | 1 |
| Manca CHEMBL614320 | IC50 | 7.54 | 7.54 | 29.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase | IC50 | = | 5.9 | nM | 8.23 | Compound was tested for its inhibitory activity on Recombinant Human Dihydrofola... | 1992121 |
| Manca | IC50 | = | 29.0 | nM | 7.54 | Compound was tested for its inhibitory activity manca tumor cell growth | 1992121 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1992121 | 10.1021/jm00105a035 | Dihydrofolate reductase | 1 |
| 1992121 | 10.1021/jm00105a035 | Unchecked | 1 |
| 1992121 | 10.1021/jm00105a035 | CCRF-CEM | 1 |
| 1992121 | 10.1021/jm00105a035 | Folylpolyglutamate synthase, mitochondrial | 1 |
| 1992121 | 10.1021/jm00105a035 | Manca | 1 |
Data from ChEMBL 36 via Core Engine