Compound Detail
CHEMBL475650
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
CC(C)(C)c1ccc(-c2nc3c(N4CCN(Cc5ccc6c(c5)NCC(=O)N6)CC4)cccc3[nH]2)cc1
Basic Information
| ChEMBL ID | CHEMBL475650 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JKWMGGLQCBTHMW-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
494.6
MW (Da)
5.21
ALogP
5
HBA
3
HBD
76.3
PSA (Ų)
0.36
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL1855 | IC50 | 7.8 | 7.8 | 16.0 | 2 |
| Gonadotropin-releasing hormone receptor CHEMBL3066 | IC50 | 7.06 | 6.99 | 87.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.05 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | IC50 | = | 16.0 | nM | 7.8 | Displacement of [D-Trp6]-GnRH from human recombinant GnRH receptor | 19271735 |
| Gonadotropin-releasing hormone receptor | IC50 | = | 16.0 | nM | 7.8 | Antagonist activity at human GnRH receptor assessed as inhibition of [D-Trp6]-Gn... | 19271735 |
| Gonadotropin-releasing hormone receptor | IC50 | = | 87.0 | nM | 7.06 | Displacement of [D-Trp6]-GnRH from rat recombinant GnRH receptor | 19271735 |
| Gonadotropin-releasing hormone receptor | IC50 | = | 120.0 | nM | 6.92 | 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 |
| 19271735 | 10.1021/jm801572m | Liver microsomes | 1 |
| 19271735 | 10.1021/jm801572m | ADMET | 1 |
Data from ChEMBL 36 via Core Engine