Compound Detail
CHEMBL331376
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Basic Information
| ChEMBL ID | CHEMBL331376 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XYJIKVISVUAHKR-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
435.5
MW (Da)
3.57
ALogP
8
HBA
0
HBD
75.0
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RPMI 8402 CHEMBL612517 | IC50 | 6.24 | 5.855 | 570.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RPMI 8402 | IC50 | = | 570.0 | nM | 6.24 | Cytotoxicity against human lymphoblast tumor cell line RPM18402 | 12392745 |
| RPMI 8402 | IC50 | = | 3400.0 | nM | 5.47 | Cytotoxicity using camptothecin-resistant variant of RPM18402 (CPT-K5) possessin... | 12392745 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12392745 | 10.1016/s0960-894x(02)00737-0 | RPMI 8402 | 2 |
| 12392745 | 10.1016/s0960-894x(02)00737-0 | DNA topoisomerase 1 | 1 |
| 12392745 | 10.1016/s0960-894x(02)00737-0 | DNA topoisomerase II | 1 |
Data from ChEMBL 36 via Core Engine