Compound Detail
CHEMBL74422
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Basic Information
| ChEMBL ID | CHEMBL74422 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UVTFJYBNKBVDDC-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
439.4
MW (Da)
0.69
ALogP
9
HBA
4
HBD
184.5
PSA (Ų)
0.37
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.64 | 6.64 | 230.0 | 1 |
| L1210 CHEMBL386 | IC50 | 6.44 | 6.44 | 360.0 | 1 |
| Dihydrofolate reductase CHEMBL202 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 230.0 | nM | 6.64 | Compound was evaluated for cell growth inhibition of human (WI-L2) leukemic cell... | 1992122 |
| L1210 | IC50 | = | 360.0 | nM | 6.44 | Compound was evaluated for cell growth inhibition of murine (L1210) leukemic cel... | 1992122 |
| Dihydrofolate reductase | IC50 | = | 6000.0 | nM | 5.22 | Compound was evaluated for Dihydrofolate Reductase (DHFR) inhibition | 1992122 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1992122 | 10.1021/jm00105a036 | Dihydrofolate reductase | 1 |
| 1992122 | 10.1021/jm00105a036 | L1210 | 1 |
| 1992122 | 10.1021/jm00105a036 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine