Compound Detail
CHEMBL4449332
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Cc1c(N2CCN(Cc3ccc(C(F)(F)F)o3)CC2)c(=O)n(C[C@H](NCCCC(=O)O)c2ccccc2)c(=O)n1Cc1c(F)cccc1C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL4449332 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JLKXURLUTOXXPN-NDEPHWFRSA-N |
3
Targets
9
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
739.7
MW (Da)
5.65
ALogP
9
HBA
2
HBD
113.0
PSA (Ų)
0.13
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 9.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL1855 | IC50 | 9.36 | 8.622 | 0.4 | 5 |
| Gonadotropin-releasing hormone receptor CHEMBL5647 | IC50 | 8.43 | 8.155 | 3.7 | 2 |
| Gonadotropin-releasing hormone receptor CHEMBL3066 | IC50 | 6.55 | 6.415 | 279.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27608177 | 10.1021/acs.jmedchem.6b01071 | Gonadotropin-releasing hormone receptor | 9 |
| 27608177 | 10.1021/acs.jmedchem.6b01071 | Unchecked | 2 |
| 27608177 | 10.1021/acs.jmedchem.6b01071 | Cytochrome P450 3A4 | 1 |
Data from ChEMBL 36 via Core Engine