Compound Detail
CHEMBL1092626
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CCc1nc(CN2CCN(c3cncc4[nH]c(-c5ccc(C(C)(C)C)cc5)nc34)CC2)c(C)[nH]1
Basic Information
| ChEMBL ID | CHEMBL1092626 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YUZYLRYHIULMSV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
457.6
MW (Da)
4.84
ALogP
5
HBA
2
HBD
76.7
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL1855 | IC50 | 7.24 | 7.24 | 58.0 | 1 |
| Gonadotropin-releasing hormone receptor CHEMBL3066 | IC50 | 6.54 | 6.54 | 290.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | IC50 | = | 58.0 | nM | 7.24 | Displacement of [125I]D-Trp6-GnRH from human recombinant GNRH receptor by scinti... | 20236823 |
| Gonadotropin-releasing hormone receptor | IC50 | = | 290.0 | nM | 6.54 | Displacement of [125I]D-Trp6-GnRH from rat recombinant GNRH receptor by scintill... | 20236823 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20236823 | 10.1016/j.bmcl.2010.02.099 | Gonadotropin-releasing hormone receptor | 2 |
Data from ChEMBL 36 via Core Engine