Compound Detail
CHEMBL3927989
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[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(c3ccc(F)nc3)=CC[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL3927989 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HSLRKIITGNGHCG-GBOSRWDWSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
1
Publications
0
Known Names
Molecular Properties
367.5
MW (Da)
5.54
ALogP
2
HBA
1
HBD
33.1
PSA (Ų)
0.52
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B16 CHEMBL381 | IC50 | 4.25 | 4.25 | 56430.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.01667 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| B16 | IC50 | = | 56430.0 | nM | 4.25 | Antiproliferative activity against mouse B16 cells measured after 48 hrs by MTT ... | 38467086 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38467086 | 10.1016/j.ejmech.2024.116296 | B16 | 1 |
Data from ChEMBL 36 via Core Engine