Compound Detail
CHEMBL269081
CEPHALOSTATIN 1 Enter ChEMBL ID:
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C[C@@H]1[C@]2(O[C@H]3C=C4[C@@H]5CC[C@H]6Cc7nc8c(nc7C[C@]6(C)[C@H]5C[C@@H](O)[C@]4(C)[C@]31O)C[C@@H]1CC[C@H]3C4=CC[C@@H]5[C@H](C)[C@@]6(OC[C@]45C(=O)C[C@@H]3[C@@]1(C)C8)OC(C)(C)C[C@H]6O)O[C@](C)(CO)C[C@H]2O
Basic Information
| ChEMBL ID | CHEMBL269081 |
| Name | CEPHALOSTATIN 1 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HHBSFXFIMWLBAI-QEEYNDHBSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
911.2
MW (Da)
5.50
ALogP
12
HBA
5
HBD
180.9
PSA (Ų)
0.22
QED
3
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 10.36
Ki 2 meas. best 7.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NCI-H460 CHEMBL396 | IC50 | 10.36 | 10.36 | 0.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 10.0 | 10.0 | 0.1 | 1 |
| DU-145 CHEMBL613508 | IC50 | 9.96 | 9.96 | 0.1 | 1 |
| Oxysterol-binding protein 1 CHEMBL4523203 | Ki | 7.41 | 7.41 | 39.0 | 1 |
| Oxysterol-binding protein 2 CHEMBL5465343 | Ki | 7.11 | 7.11 | 78.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NCI-H460 | IC50 | = | 0.044 | nM | 10.36 | Antiproliferative activity against human NCI-H460 cells assessed as reduction in... | 37300915 |
| MCF7 | IC50 | = | 0.099 | nM | 10.0 | Antiproliferative activity against human MCF7 cells assessed as reduction in cel... | 37300915 |
| DU-145 | IC50 | = | 0.11 | nM | 9.96 | Antiproliferative activity against human DU-145 cells assessed as reduction in c... | 37300915 |
| Oxysterol-binding protein 1 | Ki | = | 39.0 | nM | 7.41 | Displacement of [3H]-25-OHC from human OSBP overexpressed in HEK293T cell lysate... | 36916802 |
| Oxysterol-binding protein 2 | Ki | = | 78.0 | nM | 7.11 | Displacement of [3H]-25-OHC from human ORP4 overexpressed in HEK293T cell lysate... | 36916802 |
Literature References
Data from ChEMBL 36 via Core Engine