Compound Detail
CHEMBL277043
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COc1cc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N23)cc(OC)c1O
Basic Information
| ChEMBL ID | CHEMBL277043 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KBWONIAAZHWKLL-NPPFBWRTSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
447.5
MW (Da)
2.74
ALogP
5
HBA
2
HBD
95.1
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10780915 | 10.1021/jm9905662 | 3Y1 cell line | 3 |
| 11392530 | 10.1016/s0960-894x(01)00136-6 | NCI-H520 | 3 |
| 11392530 | 10.1016/s0960-894x(01)00136-6 | PC-3 | 3 |
| 10780915 | 10.1021/jm9905662 | Panel leukemia (Carcinoma cell lines) | 1 |
| 10780915 | 10.1021/jm9905662 | NSO | 1 |
| 10780915 | 10.1021/jm9905662 | Colon cell | 1 |
| 10780915 | 10.1021/jm9905662 | CNS cell | 1 |
| 10780915 | 10.1021/jm9905662 | Melanoma cell | 1 |
| 10780915 | 10.1021/jm9905662 | Ovarian carcinoma cell | 1 |
| 10780915 | 10.1021/jm9905662 | Renal cell | 1 |
| 10780915 | 10.1021/jm9905662 | Prostate cell | 1 |
| 10780915 | 10.1021/jm9905662 | Breast carcinoma cell | 1 |
| 11392530 | 10.1016/s0960-894x(01)00136-6 | DNA topoisomerase II | 1 |
Data from ChEMBL 36 via Core Engine