Compound Detail
CHEMBL179878
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Basic Information
| ChEMBL ID | CHEMBL179878 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PCMKFHUKCPUDQK-HDICACEKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
423.9
MW (Da)
4.50
ALogP
5
HBA
2
HBD
70.2
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 CHEMBL344 | IC50 | 8.35 | 8.35 | 4.5 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | IC50 | 7.12 | 7.12 | 76.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 | IC50 | = | 4.5 | nM | 8.35 | Inhibitory activity against human CA-MCH-R1 (Melanin-concentrating hormone recep... | 16002290 |
| Alpha-2A adrenergic receptor | IC50 | = | 76.0 | nM | 7.12 | Inhibitory activity against alpha-2A adrenergic receptor by using [3H]MK-912 as ... | 16002290 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16002290 | 10.1016/j.bmcl.2005.05.121 | Melanin-concentrating hormone receptor 1 | 1 |
| 16002290 | 10.1016/j.bmcl.2005.05.121 | Neuropeptide Y receptor type 5 | 1 |
| 16002290 | 10.1016/j.bmcl.2005.05.121 | Alpha-2A adrenergic receptor | 1 |
| 16002290 | 10.1016/j.bmcl.2005.05.121 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine