Compound Detail
CHEMBL4460880
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
COC(=O)c1cccc(CN2CCN(c3c(C)n(Cc4c(F)cccc4C(F)(F)F)c(=O)n(C[C@H](N)c4ccccc4)c3=O)CC2)c1
Basic Information
| ChEMBL ID | CHEMBL4460880 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PYKVFAZOAXOAOZ-LJAQVGFWSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
653.7
MW (Da)
4.33
ALogP
9
HBA
1
HBD
102.8
PSA (Ų)
0.21
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL1855 | IC50 | 9.41 | 8.52 | 0.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | IC50 | = | 0.39 | nM | 9.41 | Displacement of [125I]D-Trp6-LHRH from human GnRH receptor expressed in CHO-K1 c... | 27608177 |
| Gonadotropin-releasing hormone receptor | IC50 | = | 23.3 | nM | 7.63 | Antagonist activity against human GnRH receptor expressed in HEK293 cells co-tra... | 27608177 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27608177 | 10.1021/acs.jmedchem.6b01071 | Gonadotropin-releasing hormone receptor | 2 |
Data from ChEMBL 36 via Core Engine