Compound Detail
CHEMBL339636
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Cc1cc(-c2c(O)nc3ccc(C(=O)Nc4ccncn4)cc3c2OCC[C@@H]2CCN2)cc(C)c1C
Basic Information
| ChEMBL ID | CHEMBL339636 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ORQDFXXLMSCLDY-NRFANRHFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
483.6
MW (Da)
4.71
ALogP
7
HBA
3
HBD
109.3
PSA (Ų)
0.35
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL1855 | IC50 | 9.4 | 9.4 | 0.4 | 1 |
| Gonadotropin-releasing hormone receptor CHEMBL3066 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | IC50 | = | 0.4 | nM | 9.4 | Inhibitory activity against human GnRH receptor using des-Gly10[125I]Tyr5, D-Leu... | 11814806 |
| Gonadotropin-releasing hormone receptor | IC50 | = | 4.0 | nM | 8.4 | Binding affinity against gonadotropin-releasing hormone receptor of rat | 11814806 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11814806 | 10.1016/s0960-894x(01)00779-x | Gonadotropin-releasing hormone receptor | 2 |
Data from ChEMBL 36 via Core Engine