Compound Detail
CHEMBL71561
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
Cc1cc(-c2c(O)nc3cc(Cl)c(C(=O)Nc4ncccn4)cc3c2OCC[C@@H]2CCN2)cc(C)c1C
Basic Information
| ChEMBL ID | CHEMBL71561 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DBDBBVLTWXUUQH-IBGZPJMESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
518.0
MW (Da)
5.36
ALogP
7
HBA
3
HBD
109.3
PSA (Ų)
0.30
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL1855 | IC50 | 9.36 | 9.36 | 0.4 | 1 |
| Gonadotropin-releasing hormone receptor CHEMBL3066 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | IC50 | = | 0.44 | nM | 9.36 | Ability of compound to inhibit [125I-Tyr5,DLeu6,NMeLeu7,Pro9-NEt]GnRH agonist bi... | 12127532 |
| Gonadotropin-releasing hormone receptor | IC50 | = | 4.0 | nM | 8.4 | Ability of compound to inhibit [125I-Tyr5,DLeu6,NMeLeu7,Pro9-NEt]GnRH agonist bi... | 12127532 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12127532 | 10.1016/s0960-894x(02)00370-0 | Gonadotropin-releasing hormone receptor | 2 |
Data from ChEMBL 36 via Core Engine