Compound Detail
CHEMBL327528
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CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)N1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@@H](C)CC
Basic Information
| ChEMBL ID | CHEMBL327528 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZNQVHCYOXPJJAI-ZDRDUBIJSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
871.0
MW (Da)
3.36
ALogP
8
HBA
9
HBD
272.0
PSA (Ų)
0.05
QED
2
Ro5 Violations
22
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL3066 | Ki | 6.64 | 6.64 | 230.0 | 1 |
| Endothelin receptor CHEMBL2111453 | Ki | 5.22 | 5.22 | 6000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | Ki | = | 230.0 | nM | 6.64 | Inhibition constant for the displacement of specific binding of [125I][D-Lys6]-G... | 10956190 |
| Endothelin receptor | Ki | = | 6000.0 | nM | 5.22 | Inhibition constant for the displacement of specific binding of [125I]-ET (Kd=2 ... | 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