Compound Detail
CHEMBL360143
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Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1Cl
Basic Information
| ChEMBL ID | CHEMBL360143 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XQCAPMQFOQTBDQ-QHCPKHFHSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
481.9
MW (Da)
4.67
ALogP
5
HBA
1
HBD
70.0
PSA (Ų)
0.44
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.21
IC50 1 meas. best 8.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL1855 | Ki | 9.21 | 8.85 | 0.6 | 3 |
| Gonadotropin-releasing hormone receptor CHEMBL1855 | IC50 | 8.55 | 8.55 | 2.8 | 1 |
| Gonadotropin-releasing hormone receptor CHEMBL3066 | Ki | 5.54 | 5.54 | 2900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | Ki | = | 0.61 | nM | 9.21 | Binding affinity for Human gonadotropin-releasing hormone receptor | 15715483 |
| Gonadotropin-releasing hormone receptor | Ki | = | 0.7 | nM | 9.15 | Binding affinity at human GnRH receptor | 18419112 |
| Gonadotropin-releasing hormone receptor | IC50 | = | 2.8 | nM | 8.55 | Inhibition of Human gonadotropin-releasing hormone receptor stimulated calcium f... | 15715483 |
| Gonadotropin-releasing hormone receptor | Ki | = | 6.4 | nM | 8.19 | Binding affinity for Monkey gonadotropin-releasing hormone receptor | 15715483 |
| Gonadotropin-releasing hormone receptor | Ki | = | 2900.0 | nM | 5.54 | Binding affinity for Rat gonadotropin-releasing hormone receptor | 15715483 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15715483 | 10.1021/jm049218c | Gonadotropin-releasing hormone receptor | 4 |
| 18419112 | 10.1021/jm701249f | Gonadotropin-releasing hormone receptor | 1 |
Data from ChEMBL 36 via Core Engine