Compound Detail
CHEMBL2431149
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
C=CC1=CO[C@]23C[C@H](OC(C)=O)[C@H]1[C@@]2(C)CC[C@H]1[C@H]3CC[C@@H]2C[C@@H](O)CC[C@@]21C
Basic Information
| ChEMBL ID | CHEMBL2431149 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HEVBJYCZSNXYKU-FUVMXNIJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
400.6
MW (Da)
4.77
ALogP
4
HBA
1
HBD
55.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HepG2 CHEMBL395 | IC50 | 4.19 | 4.19 | 64800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HepG2 | IC50 | = | 64800.0 | nM | 4.19 | Cytotoxicity against human HepG2 cells after 24 hrs by MTT assay | 24050254 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24050254 | 10.1021/np400174f | ADMET | 1 |
| 24050254 | 10.1021/np400174f | A549 | 1 |
| 24050254 | 10.1021/np400174f | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine