Compound Detail
CHEMBL244370
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Cc1ccc(NC(=O)C(C)C)cc1C1CCN(CCCNC(=O)C2(c3ccc(F)cc3)CCCC2)CC1
Basic Information
| ChEMBL ID | CHEMBL244370 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BMVZQYRVHRLKTR-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
507.7
MW (Da)
5.93
ALogP
3
HBA
2
HBD
61.4
PSA (Ų)
0.41
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.36
Ki 1 meas. best 8.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 CHEMBL1075228 | Ki | 8.42 | 8.42 | 3.8 | 1 |
| Melanin-concentrating hormone receptor 1 CHEMBL1075228 | IC50 | 7.36 | 7.36 | 44.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 | Ki | = | 3.8 | nM | 8.42 | Displacement of [3H]SNAP 7941 from rat MCHR1 expressed in HEK293 cells | 17668921 |
| Melanin-concentrating hormone receptor 1 | IC50 | = | 44.0 | nM | 7.36 | Antagonist activity at rat MCHR1 expressed in HEK293 cells assessed as effect on... | 17668921 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17668921 | 10.1021/jm060381c | Melanin-concentrating hormone receptor 1 | 2 |
Data from ChEMBL 36 via Core Engine