Compound Detail
CHEMBL155048
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CC(C)c1cc(C(C)C)c(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NNC(=O)c3cc4ccccc4s3)CC2)c(C(C)C)c1
Basic Information
| ChEMBL ID | CHEMBL155048 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DLDHYELLPAFYID-YHBQERECSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
597.9
MW (Da)
6.82
ALogP
5
HBA
3
HBD
104.4
PSA (Ų)
0.24
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide Y receptor type 5 CHEMBL4561 | IC50 | 6.85 | 6.85 | 142.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptide Y receptor type 5 | IC50 | = | 142.0 | nM | 6.85 | Human Neuropeptide Y5 receptor binding affinity | 14741250 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14741250 | 10.1016/j.bmcl.2003.11.070 | Neuropeptide Y receptor type 1 | 1 |
| 14741250 | 10.1016/j.bmcl.2003.11.070 | Neuropeptide Y receptor type 5 | 1 |
Data from ChEMBL 36 via Core Engine