Compound Detail
CHEMBL408746
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Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2C(C)CNCCCCc2ccnnc2)c1
Basic Information
| ChEMBL ID | CHEMBL408746 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | INQAGAZMKLUCAL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
577.8
MW (Da)
7.39
ALogP
4
HBA
2
HBD
73.9
PSA (Ų)
0.18
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL1855 | Ki | 9.15 | 9.15 | 0.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | Ki | = | 0.7 | nM | 9.15 | Inhibition of GnRH receptor | 17920281 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17920281 | 10.1016/j.bmc.2007.09.026 | Gonadotropin-releasing hormone receptor | 1 |
Data from ChEMBL 36 via Core Engine