Compound Detail
CHEMBL184819
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Cc1cc(-c2c(O)nc3cc(Cl)c(C(=O)Nc4ccncn4)cc3c2OCCC2CCCO2)cc(C)c1C
Basic Information
| ChEMBL ID | CHEMBL184819 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YWHAKGCRCVPYKM-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
533.0
MW (Da)
6.18
ALogP
7
HBA
2
HBD
106.5
PSA (Ų)
0.29
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL1855 | IC50 | 9.22 | 8.85 | 0.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | IC50 | = | 0.6 | nM | 9.22 | Binding affinity towards human gonadotropin releasing hormone receptor expressed... | 15482932 |
| Gonadotropin-releasing hormone receptor | IC50 | = | 3.3 | nM | 8.48 | Inhibition of GnRH-stimulated phosphatidyl inositol hydrolysis in CHO cells expr... | 15482932 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15482932 | 10.1016/j.bmcl.2004.08.056 | Gonadotropin-releasing hormone receptor | 2 |
Data from ChEMBL 36 via Core Engine