Compound Detail
CHEMBL424421
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Basic Information
| ChEMBL ID | CHEMBL424421 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RNWGIKJBCNJMQN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
406.4
MW (Da)
2.90
ALogP
8
HBA
0
HBD
99.7
PSA (Ų)
0.29
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RPMI 8402 CHEMBL612517 | IC50 | 5.32 | 5.32 | 4800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RPMI 8402 | IC50 | = | 4800.0 | nM | 5.32 | Cytotoxic activity against human lymphoblast tumor cell line RPMI8402 after 4 da... | 12747798 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12747798 | 10.1021/jm020498a | DNA topoisomerase 1 | 1 |
| 12747798 | 10.1021/jm020498a | RPMI 8402 | 1 |
| 12747798 | 10.1021/jm020498a | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine