Compound Detail
CHEMBL196208
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Basic Information
| ChEMBL ID | CHEMBL196208 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZVVXUNMBLOALQB-LYBHJNIJSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
408.4
MW (Da)
3.44
ALogP
7
HBA
1
HBD
76.7
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 CHEMBL344 | IC50 | 8.7 | 8.33 | 2.0 | 2 |
| IMR-32 CHEMBL614585 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanin-concentrating hormone receptor 1 | IC50 | = | 2.0 | nM | 8.7 | Displacement of [125I]MCH from MCHr1 expressed in IMR32 (I3.4.2) cells | 16570930 |
| Melanin-concentrating hormone receptor 1 | IC50 | = | 11.0 | nM | 7.96 | Inhibition of melanin concentrating hormone receptor 1 mediated [Ca2+] release i... | 16161992 |
| IMR-32 | IC50 | = | 11.0 | nM | 7.96 | Inhibition of MCH-mediated calcium release in whole IMR32 cells by FLIPR assay | 16570930 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16161992 | 10.1021/jm050598r | ADMET | 2 |
| 16570930 | 10.1021/jm0512286 | Rattus norvegicus | 2 |
| 16161992 | 10.1021/jm050598r | Melanin-concentrating hormone receptor 1 | 1 |
| 16570930 | 10.1021/jm0512286 | IMR-32 | 1 |
| 16570930 | 10.1021/jm0512286 | Melanin-concentrating hormone receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine