Compound Detail
CHEMBL2030157
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O=S(=O)(c1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1)N1CCCC1
Basic Information
| ChEMBL ID | CHEMBL2030157 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LFQFACOQINGVSW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
535.7
MW (Da)
4.82
ALogP
4
HBA
2
HBD
72.9
PSA (Ų)
0.44
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide Y receptor type 2 CHEMBL4018 | IC50 | 6.93 | 6.93 | 117.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptide Y receptor type 2 | IC50 | = | 117.0 | nM | 6.93 | Antagonist activity at neuropeptide Y receptor Y2 | 22607676 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22607676 | 10.1016/j.bmcl.2012.04.107 | Neuropeptide Y receptor type 2 | 1 |
| 22607676 | 10.1016/j.bmcl.2012.04.107 | Neuropeptide Y receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine