Compound Detail
CHEMBL256109
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
COc1cccc(-c2c(C)n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](C)NC3CCCC3)c2=O)c1Cl
Basic Information
| ChEMBL ID | CHEMBL256109 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BUONDJSCFQDMKL-INIZCTEOSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
568.0
MW (Da)
5.77
ALogP
6
HBA
1
HBD
65.3
PSA (Ų)
0.35
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.82
Ki 2 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL1855 | Ki | 9.52 | 8.365 | 0.3 | 2 |
| Gonadotropin-releasing hormone receptor CHEMBL1855 | IC50 | 8.82 | 7.62 | 1.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | Ki | = | 0.3 | nM | 9.52 | Binding affinity to human GnRHR | 18442905 |
| Gonadotropin-releasing hormone receptor | IC50 | = | 1.5 | nM | 8.82 | Antagonist activity at human GnRHR assessed as inhibition of calcium flux by IP3... | 18442905 |
| Gonadotropin-releasing hormone receptor | Ki | = | 61.0 | nM | 7.21 | Binding affinity to human GnRHR | 18442905 |
| Gonadotropin-releasing hormone receptor | IC50 | = | 385.0 | nM | 6.42 | Antagonist activity at human GnRHR assessed as inhibition of calcium flux by IP3... | 18442905 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18442905 | 10.1016/j.bmcl.2008.04.029 | Gonadotropin-releasing hormone receptor | 4 |
Data from ChEMBL 36 via Core Engine