Compound Detail
CHEMBL67638
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CCCC(=O)Nc1ccc(-c2nc3n(Cc4ccccc4F)cc(C(=O)OCC)c(=O)n3c2CN(C)Cc2ccccc2)cc1
Basic Information
| ChEMBL ID | CHEMBL67638 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FOPNJXZLDYHPLA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
609.7
MW (Da)
5.90
ALogP
8
HBA
1
HBD
97.9
PSA (Ų)
0.18
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL1855 | Ki | 7.1 | 7.1 | 80.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | Ki | = | 80.0 | nM | 7.1 | Ability to inhibit [125I-Tyr5,DLeu6,NMeLeu7,Pro9-NEt]GnRH agonist binding to the... | 12127532 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12127532 | 10.1016/s0960-894x(02)00370-0 | Gonadotropin-releasing hormone receptor | 1 |
Data from ChEMBL 36 via Core Engine