Compound Detail
CHEMBL156818
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COC1C(CO)OC(n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)NC4=O)C(OC(C)=O)C1O
Basic Information
| ChEMBL ID | CHEMBL156818 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZPHHDHZJCJDMLY-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
543.5
MW (Da)
2.51
ALogP
9
HBA
4
HBD
152.1
PSA (Ų)
0.20
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P388 CHEMBL389 | IC50 | 6.26 | 5.8 | 550.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P388 | IC50 | = | 550.0 | nM | 6.26 | Cytotoxicity against P388 leukemia cells | 10052965 |
| P388 | IC50 | = | 4600.0 | nM | 5.34 | Cytotoxicity against P388/CPT5 leukemia cells. | 10052965 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10052965 | 10.1021/jm980396d | P388 | 2 |
| 10052965 | 10.1021/jm980396d | Bacillus cereus | 2 |
| 10052965 | 10.1021/jm980396d | DNA topoisomerase 1 | 1 |
| 10052965 | 10.1021/jm980396d | Streptomyces chartreusis | 1 |
| 10052965 | 10.1021/jm980396d | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine