Compound Detail
CHEMBL70851
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CCOC(=O)c1cn(Cc2ccccc2F)c2nc(-c3ccc(OC)cc3)c(CN(C)CCc3ccccn3)n2c1=O
Basic Information
| ChEMBL ID | CHEMBL70851 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YJZYPOYHHWWHAC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
569.6
MW (Da)
4.61
ALogP
9
HBA
0
HBD
91.0
PSA (Ų)
0.21
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL1855 | Ki | 6.64 | 6.64 | 230.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | Ki | = | 230.0 | nM | 6.64 | 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