Compound Detail
CHEMBL304002
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CCc1c(-c2cccc(OC)c2)c(=O)n(CCN(C)CCc2ccccn2)c(=O)n1Cc1c(F)cccc1F
Basic Information
| ChEMBL ID | CHEMBL304002 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CEBFWYFIGNGBJH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
534.6
MW (Da)
4.14
ALogP
7
HBA
0
HBD
69.4
PSA (Ų)
0.29
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL1855 | Ki | 5.66 | 5.66 | 2200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | Ki | = | 2200.0 | nM | 5.66 | Binding affinity was determined towards human gonadotropin-releasing hormone rec... | 12747774 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12747774 | 10.1021/jm034041s | Gonadotropin-releasing hormone receptor | 1 |
Data from ChEMBL 36 via Core Engine