Compound Detail
CHEMBL513998
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
Cn1c(=O)c(=O)[nH]c2ccc(CN3CCN(c4cccc5[nH]c(-c6ccc(C(C)(C)C)cc6)nc45)CC3)cc21
Basic Information
| ChEMBL ID | CHEMBL513998 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WNLQUIYBVROEKG-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
522.6
MW (Da)
4.39
ALogP
6
HBA
2
HBD
90.0
PSA (Ų)
0.34
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL1855 | IC50 | 8.46 | 8.295 | 3.5 | 2 |
| Gonadotropin-releasing hormone receptor CHEMBL3066 | IC50 | 7.77 | 7.565 | 17.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | IC50 | = | 3.5 | nM | 8.46 | Displacement of [D-Trp6]-GnRH from human recombinant GnRH receptor | 19271735 |
| Gonadotropin-releasing hormone receptor | IC50 | = | 7.4 | nM | 8.13 | Antagonist activity at human GnRH receptor assessed as inhibition of [D-Trp6]-Gn... | 19271735 |
| Gonadotropin-releasing hormone receptor | IC50 | = | 17.0 | nM | 7.77 | Displacement of [D-Trp6]-GnRH from rat recombinant GnRH receptor | 19271735 |
| Gonadotropin-releasing hormone receptor | IC50 | = | 44.0 | nM | 7.36 | Antagonist activity at rat recombinant GnRH receptor assessed as inhibition of [... | 19271735 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19271735 | 10.1021/jm801572m | Gonadotropin-releasing hormone receptor | 4 |
| 19271735 | 10.1021/jm801572m | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine