Compound Detail
CHEMBL430312
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CCC1CN(C(=O)O[C@H]2[C@H](C)[C@@H](OC3O[C@H](C)C[C@H](N(C)C(C)C)[C@H]3O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]3N(CCc4ccc(Cl)cc4)C(=O)O[C@]3(C)[C@@H](CC)OC(=O)[C@@H]2C)C(=O)O1
Basic Information
| ChEMBL ID | CHEMBL430312 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ULCZAXFGWNUBFQ-QHVYRLIWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
922.5
MW (Da)
7.03
ALogP
14
HBA
1
HBD
179.9
PSA (Ų)
0.18
QED
3
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL3066 | Ki | 7.74 | 7.74 | 18.2 | 1 |
| Gonadotropin-releasing hormone receptor CHEMBL1855 | Ki | 6.25 | 6.25 | 562.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | Ki | = | 18.2 | nM | 7.74 | In vitro binding affinity to rat luteinizing hormone-releasing hormone (LHRH) re... | 14971889 |
| Gonadotropin-releasing hormone receptor | Ki | = | 562.34 | nM | 6.25 | In vitro binding affinity to human luteinizing hormone-releasing hormone (LHRH) ... | 14971889 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14971889 | 10.1021/jm030418i | Gonadotropin-releasing hormone receptor | 2 |
Data from ChEMBL 36 via Core Engine