Compound Detail
CHEMBL522188
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Cc1nc(C)c(CN2CCN(c3cccc4[nH]c(-c5ccc(C(C)(C)C)cc5)nc34)CC2)s1
Basic Information
| ChEMBL ID | CHEMBL522188 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XELLOVVHUOWNOK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
459.7
MW (Da)
5.92
ALogP
5
HBA
1
HBD
48.0
PSA (Ų)
0.41
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL1855 | IC50 | 7.57 | 7.57 | 27.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | IC50 | = | 27.0 | nM | 7.57 | Displacement of [125I]-(D-Trp6)-GnRH from human GnRH receptor | 19251413 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19251413 | 10.1016/j.bmcl.2009.02.043 | Gonadotropin-releasing hormone receptor | 1 |
Data from ChEMBL 36 via Core Engine