Compound Detail
CHEMBL488641
18-OXOTRYPROSTATIN A Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COc1ccc2c(C[C@@H]3NC(=O)[C@@H]4CCCN4C3=O)c(C(=O)C=C(C)C)[nH]c2c1
Basic Information
| ChEMBL ID | CHEMBL488641 |
| Name | 18-OXOTRYPROSTATIN A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UJAJXFUZWQQKAG-ROUUACIJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
395.5
MW (Da)
2.36
ALogP
4
HBA
2
HBD
91.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A549 CHEMBL392 | IC50 | 5.89 | 5.89 | 1280.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A549 | IC50 | = | 1280.0 | nM | 5.89 | Cytotoxicity against human A549 cells after 72 hrs by MTT assay | 18505285 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18505285 | 10.1021/np700737g | A549 | 1 |
Data from ChEMBL 36 via Core Engine