Compound Detail
CHEMBL232097
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CCn1c(=O)[nH]c2cc(CCNC[C@@H](C)c3c(-c4cc(C)cc(C)c4)[nH]c4c3CN(C(=O)Cc3c(F)cccc3C(F)(F)F)CC4)ccc2c1=O
Basic Information
| ChEMBL ID | CHEMBL232097 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JZNJQYJAQCLZEO-XMMPIXPASA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
703.8
MW (Da)
6.54
ALogP
5
HBA
3
HBD
103.0
PSA (Ų)
0.11
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.04
Ki 1 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL3066 | Ki | 8.74 | 8.74 | 1.8 | 1 |
| Gonadotropin-releasing hormone receptor CHEMBL1855 | IC50 | 7.04 | 7.04 | 91.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | Ki | = | 1.8 | nM | 8.74 | Displacement of [125I]-Tyr5, DLeu6, NMeLeu7, Pro-N-Et-GnRH from cloned rat GnRHR | 17521908 |
| Gonadotropin-releasing hormone receptor | IC50 | = | 91.0 | nM | 7.04 | Inhibition of human GnRHR expressed in RBL cells assessed as inhibition of GnRH-... | 17521908 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17521908 | 10.1016/j.bmcl.2007.05.009 | Gonadotropin-releasing hormone receptor | 3 |
Data from ChEMBL 36 via Core Engine