Compound Detail
CHEMBL347195
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COC1C(CO)OC(n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)NC4=O)C(O)C1OC(=O)CBr
Basic Information
| ChEMBL ID | CHEMBL347195 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XSBINZAIPQEGEY-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
622.4
MW (Da)
2.88
ALogP
9
HBA
4
HBD
152.1
PSA (Ų)
0.13
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.82
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CEM-SS | IC50 | = | 150.0 | nM | 6.82 | Anti-HIV-1 activity in CEM-SS cells was measured by the quantification of the re... | 10052965 |
| P388 | IC50 | = | 160.0 | nM | 6.8 | Cytotoxicity against P388 leukemia cells | 10052965 |
| P388 | IC50 | = | 3200.0 | nM | 5.5 | Cytotoxicity against P388/CPT5 leukemia cells. | 10052965 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10052965 | 10.1021/jm980396d | P388 | 2 |
| 10052965 | 10.1021/jm980396d | CEM-SS | 2 |
| 10052965 | 10.1021/jm980396d | Bacillus cereus | 2 |
| 10052965 | 10.1021/jm980396d | Unchecked | 2 |
| 10052965 | 10.1021/jm980396d | Protein kinase C (PKC) | 1 |
| 10052965 | 10.1021/jm980396d | Nucleic Acid | 1 |
| 10052965 | 10.1021/jm980396d | DNA topoisomerase 1 | 1 |
| 10052965 | 10.1021/jm980396d | Streptomyces chartreusis | 1 |
Data from ChEMBL 36 via Core Engine