Compound Detail
CHEMBL495183
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CCc1cc(CN2CCN(c3cccc4[nH]c(-c5ccc(C(C)(C)C)cc5)nc34)CC2)n(C)n1
Basic Information
| ChEMBL ID | CHEMBL495183 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QIQFPEHDBGCHHZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
456.6
MW (Da)
5.15
ALogP
5
HBA
1
HBD
53.0
PSA (Ų)
0.45
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL1855 | IC50 | 7.66 | 7.66 | 22.0 | 1 |
| Gonadotropin-releasing hormone receptor CHEMBL3066 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | IC50 | = | 22.0 | nM | 7.66 | Displacement of [125I]-(D-Trp6)-GnRH from human GnRH receptor | 19251413 |
| Gonadotropin-releasing hormone receptor | IC50 | = | 250.0 | nM | 6.6 | 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