Compound Detail
CHEMBL5265999
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
CC1(C)CC[C@]2(C(N)=O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)OC[C@](C)(C=O)[C@@H]5CC[C@]43C)[C@@H]2C1
Basic Information
| ChEMBL ID | CHEMBL5265999 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WBKGXDPYUBEANU-AHJCBHEUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
485.7
MW (Da)
5.40
ALogP
4
HBA
2
HBD
89.6
PSA (Ų)
0.40
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PANC-1 CHEMBL614139 | IC50 | 4.53 | 4.53 | 29320.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PANC-1 | IC50 | = | 29320.0 | nM | 4.53 | Cytotoxicity against human PANC-1 cells assessed as inhibition of cell growth in... | 36846362 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36846362 | 10.1039/d2md00275b | PANC-1 | 1 |
| 36846362 | 10.1039/d2md00275b | HT-29 | 1 |
Data from ChEMBL 36 via Core Engine