Compound Detail
CHEMBL187931
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N#Cc1cccc(-c2ccc(N(CCN3CC[C@H](O)C3)C(=O)Nc3ccc(C(F)(F)F)c(F)c3)cc2)c1
Basic Information
| ChEMBL ID | CHEMBL187931 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GWJDUOBMDIOPJP-QHCPKHFHSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
512.5
MW (Da)
5.49
ALogP
4
HBA
2
HBD
79.6
PSA (Ų)
0.43
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 CHEMBL344 | Ki | 8.14 | 8.14 | 7.3 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1449.0 | ng.hr.mL-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 | Ki | = | 7.3 | nM | 8.14 | Inhibition of human melanin concentrating hormone receptor 1 | 16033253 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16033253 | 10.1021/jm0503852 | Melanin-concentrating hormone receptor 1 | 1 |
| 16033253 | 10.1021/jm0503852 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine