Compound Detail
CHEMBL333641
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Basic Information
| ChEMBL ID | CHEMBL333641 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MJRBBHNMZXASLR-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
443.6
MW (Da)
4.03
ALogP
7
HBA
2
HBD
79.9
PSA (Ų)
0.49
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.43
IC50 1 meas. best 4.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calf thymus DNA CHEMBL612514 | EC50 | 4.43 | 4.43 | 37000.0 | 1 |
| P388 CHEMBL389 | IC50 | 4.31 | 4.31 | 49000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Calf thymus DNA | EC50 | = | 37000.0 | nM | 4.43 | In vitro evaluation for intercalating potency by using calf thymus DNA in ethidi... | 9733489 |
| P388 | IC50 | = | 49000.0 | nM | 4.31 | In vitro cytotoxicity measured by quantifying clonogenic survival in soft agar f... | 9733489 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80164-5 | Mus musculus | 4 |
| 9733489 | 10.1021/jm9708083 | Mus musculus | 4 |
| 9733489 | 10.1021/jm9708083 | P388 | 1 |
| 9733489 | 10.1021/jm9708083 | DNA topoisomerase II | 1 |
| 9733489 | 10.1021/jm9708083 | Calf thymus DNA | 1 |
Data from ChEMBL 36 via Core Engine