Compound Detail
CHEMBL493931
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CCCn1c(CC)nc(CN2CCN(c3cccc4[nH]c(-c5ccc(C(C)(C)C)cc5)nc34)CC2)c1C
Basic Information
| ChEMBL ID | CHEMBL493931 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PZFYXPMBXBOOFR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
498.7
MW (Da)
6.33
ALogP
5
HBA
1
HBD
53.0
PSA (Ų)
0.32
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL1855 | IC50 | 7.54 | 7.54 | 29.0 | 1 |
| Gonadotropin-releasing hormone receptor CHEMBL3066 | IC50 | 7.24 | 7.24 | 57.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | IC50 | = | 29.0 | nM | 7.54 | Displacement of [125I]-(D-Trp6)-GnRH from human GnRH receptor | 19251413 |
| Gonadotropin-releasing hormone receptor | IC50 | = | 57.0 | nM | 7.24 | Displacement of [125I]-(D-Trp6)-GnRH from rat GnRH receptor | 19251413 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19251413 | 10.1016/j.bmcl.2009.02.043 | Gonadotropin-releasing hormone receptor | 2 |
Data from ChEMBL 36 via Core Engine