Compound Detail
CHEMBL267815
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CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CSCCN(C)C)c(O)ccc3nc2-1
Basic Information
| ChEMBL ID | CHEMBL267815 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KTTXTDYMGRYEAS-VWLOTQADSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
481.6
MW (Da)
2.58
ALogP
9
HBA
2
HBD
104.9
PSA (Ų)
0.32
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 12.0 | nM | 7.92 | Inhibitory activity in mice bearing L1210 leukemia | 1846923 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1846923 | 10.1021/jm00105a017 | Mus musculus | 2 |
| 1846923 | 10.1021/jm00105a017 | DNA topoisomerase 1 | 1 |
| 1846923 | 10.1021/jm00105a017 | L1210 | 1 |
Data from ChEMBL 36 via Core Engine