Compound Detail
CHEMBL468099
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O=C(C(c1ccc(F)c(F)c1)n1cccn1)N(CCF)CCCN1CCC2(CC1)OCc1cc(F)ncc12
Basic Information
| ChEMBL ID | CHEMBL468099 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RIBRPOBHPDSMOR-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
531.5
MW (Da)
3.99
ALogP
6
HBA
0
HBD
63.5
PSA (Ų)
0.31
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 CHEMBL344 | IC50 | 10.05 | 10.05 | 0.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 | IC50 | = | 0.09 | nM | 10.05 | Displacement of [125I]MCH from human MCHR1 expressed in CHO cells | 19403308 |
| Melanin-concentrating hormone receptor 1 | IC50 | = | 0.09 | nM | 10.05 | Displacement of [125I]MCH from human MCH1R expressed in CHO cells | 19683441 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19403308 | 10.1016/j.bmcl.2009.04.016 | LLC-PK1 | 2 |
| 19683441 | 10.1016/j.bmcl.2009.07.132 | Liver microsomes | 2 |
| 19403308 | 10.1016/j.bmcl.2009.04.016 | Melanin-concentrating hormone receptor 1 | 1 |
| 19403308 | 10.1016/j.bmcl.2009.04.016 | Alpha-1A adrenergic receptor | 1 |
| 19403308 | 10.1016/j.bmcl.2009.04.016 | Melanin-concentrating hormone receptor 2 | 1 |
| 19403308 | 10.1016/j.bmcl.2009.04.016 | No relevant target | 1 |
| 19683441 | 10.1016/j.bmcl.2009.07.132 | Melanin-concentrating hormone receptor 1 | 1 |
| 19683441 | 10.1016/j.bmcl.2009.07.132 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine