Compound Detail
CHEMBL435167
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
CCNC(=O)Nc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1
Basic Information
| ChEMBL ID | CHEMBL435167 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QXPNCZJTKXSGQY-UHFFFAOYSA-N |
2
Targets
20
Activities
2
Assay Types
3
PK Parameters
4
Publications
0
Known Names
Molecular Properties
665.8
MW (Da)
6.98
ALogP
7
HBA
2
HBD
88.4
PSA (Ų)
0.17
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 19 meas. best 10.15
Ki 1 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL1855 | IC50 | 10.15 | 8.3544 | 0.1 | 18 |
| Gonadotropin-releasing hormone receptor CHEMBL1855 | Ki | 9.4 | 9.4 | 0.4 | 1 |
| Gonadotropin-releasing hormone receptor CHEMBL3066 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 179.76 | ng.hr.mL-1 | Macaca fascicularis |
| Cmax | 63.0 | nM | Macaca fascicularis |
| Tmax | 3.0 | hr | Macaca fascicularis |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17034124 | 10.1021/jm060580w | Gonadotropin-releasing hormone receptor | 27 |
| 12502365 | 10.1021/jm020180i | Gonadotropin-releasing hormone receptor | 5 |
| 12502365 | 10.1021/jm020180i | Cynomolgus monkey | 3 |
| 14505682 | 10.1016/s0960-894x(03)00746-7 | Gonadotropin-releasing hormone receptor | 1 |
Data from ChEMBL 36 via Core Engine