Compound Detail
CHEMBL237516
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O=C(NC1(C(=O)NC(Cc2ccccc2)C(=O)NCCN2CCOCC2)CCCCC1)c1cc2ccccc2s1
Basic Information
| ChEMBL ID | CHEMBL237516 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GYKPMTDZZOZESG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
562.7
MW (Da)
3.51
ALogP
6
HBA
3
HBD
99.8
PSA (Ų)
0.35
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-K receptor CHEMBL2327 | Ki | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-K receptor | Ki | = | 100.0 | nM | 7.0 | Displacement of [125I]NKA from human NK2 expressed in CHO-K1 cells | 17604625 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17604625 | 10.1016/j.bmcl.2007.06.053 | Substance-K receptor | 1 |
Data from ChEMBL 36 via Core Engine