Compound Detail
CHEMBL319087
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COC(=O)CC1=CN2C(=O)c3cc(OC)c(OCCCOc4cc5c(cc4OC)C(=O)N4C=C(CC(=O)OC)C[C@H]4C=N5)cc3N=C[C@@H]2C1
Basic Information
| ChEMBL ID | CHEMBL319087 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | REFPNDIEEIADJH-GOTSBHOMSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
672.7
MW (Da)
4.31
ALogP
12
HBA
0
HBD
154.9
PSA (Ų)
0.24
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A2780 CHEMBL614004 | IC50 | 8.27 | 7.755 | 5.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A2780 | IC50 | = | 5.4 | nM | 8.27 | Dose of required to inhibit growth of human ovarian carcinoma (A2780) cell line ... | 11597416 |
| A2780 | IC50 | = | 58.0 | nM | 7.24 | Dose of required to inhibit growth of cisplatin resistant human ovarian carcinom... | 11597416 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11597416 | 10.1016/s0960-894x(01)00560-1 | A2780 | 2 |
| 11597416 | 10.1016/s0960-894x(01)00560-1 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine