Compound Detail
CHEMBL2370251
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CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)CC
Basic Information
| ChEMBL ID | CHEMBL2370251 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | RAKVETVMTFFUDT-ZDRDUBIJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
845.0
MW (Da)
2.88
ALogP
8
HBA
10
HBD
277.7
PSA (Ų)
0.05
QED
2
Ro5 Violations
23
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL3066 | Ki | 6.16 | 6.16 | 700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | Ki | = | 700.0 | nM | 6.16 | Inhibition constant for the displacement of specific binding of [125I][D-Lys6]-G... | 10956190 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10956190 | 10.1021/jm990432o | Gonadotropin-releasing hormone receptor | 1 |
| 10956190 | 10.1021/jm990432o | Endothelin receptor | 1 |
Data from ChEMBL 36 via Core Engine