Compound Detail
CHEMBL113338
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Basic Information
| ChEMBL ID | CHEMBL113338 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | INCMOFCJTGRLPD-AATRIKPKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
434.4
MW (Da)
4.35
ALogP
8
HBA
0
HBD
81.0
PSA (Ų)
0.33
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RPMI 8402 CHEMBL612517 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RPMI 8402 | IC50 | = | 150.0 | nM | 6.82 | Cytotoxicity against human lymphoblast tumor cell line RPM18402 | 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