Compound Detail
CHEMBL417189
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Cc1cc(C)cc(-c2c(O)nc3cc(Cl)c(NC(=O)Nc4cncnc4)cc3c2OCC[C@@H]2CCCCN2)c1
Basic Information
| ChEMBL ID | CHEMBL417189 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GGUCKNMOSIHLKI-FQEVSTJZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
547.1
MW (Da)
6.22
ALogP
7
HBA
4
HBD
121.3
PSA (Ų)
0.22
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL1855 | IC50 | 7.24 | 7.24 | 57.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.05 | 6.05 | 897.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | IC50 | = | 57.0 | nM | 7.24 | Inhibition of recombinant human Gonadotropin-releasing hormone receptor | 10937733 |
| Unchecked | IC50 | = | 897.0 | nM | 6.05 | Compound was evaluated for its antagonism in CHO cells expressing the human rece... | 10937733 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10937733 | 10.1016/s0960-894x(00)00318-8 | Gonadotropin-releasing hormone receptor | 1 |
| 10937733 | 10.1016/s0960-894x(00)00318-8 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine