Compound Detail
CHEMBL1627875
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]3c4cc(OCC(F)(F)F)c(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O
Basic Information
| ChEMBL ID | CHEMBL1627875 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SEJLRFOCUWYOPK-SSTWWWIQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
370.4
MW (Da)
4.55
ALogP
3
HBA
2
HBD
49.7
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tubulin CHEMBL2094134 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tubulin | IC50 | = | 1500.0 | nM | 5.82 | Evaluated for inhibition of tubulin polymerization. | 9240348 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9240348 | 10.1021/jm9700833 | HOP-62 | 1 |
| 9240348 | 10.1021/jm9700833 | HCT-116 | 1 |
| 9240348 | 10.1021/jm9700833 | SF-539 | 1 |
| 9240348 | 10.1021/jm9700833 | UACC-62 | 1 |
| 9240348 | 10.1021/jm9700833 | OVCAR-3 | 1 |
| 9240348 | 10.1021/jm9700833 | SN12C | 1 |
| 9240348 | 10.1021/jm9700833 | DU-145 | 1 |
| 9240348 | 10.1021/jm9700833 | MDA-MB-435 | 1 |
| 9240348 | 10.1021/jm9700833 | Panel (Carcinoma cell lines) | 1 |
| 9240348 | 10.1021/jm9700833 | Tubulin | 1 |
| 9240348 | 10.1021/jm9700833 | Tubulin beta chain | 1 |
Data from ChEMBL 36 via Core Engine