Compound Detail
CHEMBL195250
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Cc1cc(N2C[C@@H](C)N[C@@H](C)C2)nc2ccc(NC(=O)/C=C/c3ccc(OC(F)(F)F)cc3)cc12
Basic Information
| ChEMBL ID | CHEMBL195250 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DVNOJAJYFIOGBD-SEKNRTTHSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
484.5
MW (Da)
5.28
ALogP
5
HBA
2
HBD
66.5
PSA (Ų)
0.48
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 CHEMBL344 | IC50 | 7.0 | 6.4433 | 100.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 | IC50 | = | 100.0 | nM | 7.0 | Displacement of 15 pM [125I]MCH from human MCH1R expressed in CHO-K1 in whole-ce... | 16134937 |
| Melanin-concentrating hormone receptor 1 | IC50 | = | 409.0 | nM | 6.39 | Displacement of 150p M [125I]MCH from human MCH1R expressed in CHO-K1 cells | 16134937 |
| Melanin-concentrating hormone receptor 1 | IC50 | = | 1160.0 | nM | 5.94 | Inhibitory concentration against 10 nM MCH-induced IP3 accumulation in CHO-K1 ce... | 16134937 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16134937 | 10.1021/jm050103y | Melanin-concentrating hormone receptor 1 | 3 |
Data from ChEMBL 36 via Core Engine