Compound Detail
CHEMBL2369806
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CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CCc1c[nH]c2ccccc12
Basic Information
| ChEMBL ID | CHEMBL2369806 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AMGVBWSQFZWHLF-WKSNNGRJSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
980.2
MW (Da)
0.93
ALogP
10
HBA
11
HBD
315.6
PSA (Ų)
0.02
QED
2
Ro5 Violations
26
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 6.07
Ki 1 meas. best 7.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lutropin-choriogonadotropic hormone receptor CHEMBL2456 | Ki | 7.78 | 7.78 | 16.6 | 1 |
| Lutropin-choriogonadotropic hormone receptor CHEMBL2456 | Kd | 6.07 | 6.07 | 851.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lutropin-choriogonadotropic hormone receptor | Ki | = | 16.6 | nM | 7.78 | In vitro binding affinity for Luteinizing hormone releasing hormone receptor fro... | 2552116 |
| Lutropin-choriogonadotropic hormone receptor | Kd | = | 851.14 | nM | 6.07 | In vivo inhibition of leutenising hormone in rats. | 2552116 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2552116 | 10.1021/jm00130a019 | Lutropin-choriogonadotropic hormone receptor | 2 |
Data from ChEMBL 36 via Core Engine