Compound Detail
CHEMBL415117
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Basic Information
| ChEMBL ID | CHEMBL415117 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VQCHFJRXJSKXIJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
361.4
MW (Da)
2.99
ALogP
6
HBA
0
HBD
56.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RPMI 8402 CHEMBL612517 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.02 | 6.02 | 950.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RPMI 8402 | IC50 | = | 60.0 | nM | 7.22 | Cytotoxic activity against human lymphoblast tumor cell line RPMI8402 after 4 da... | 12747798 |
| NON-PROTEIN TARGET | IC50 | = | 950.0 | nM | 6.02 | Cytotoxic activity against human lymphoblast tumor cell line CPT-K5 after 4 days... | 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