Compound Detail
CHEMBL1964878
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Basic Information
| ChEMBL ID | CHEMBL1964878 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FZLHLVFJKMISJL-FCDQGJHFSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
425.5
MW (Da)
2.67
ALogP
6
HBA
0
HBD
106.9
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Orexin/Hypocretin receptor type 1 CHEMBL5113 | IC50 | 6.38 | 5.965 | 413.9 | 2 |
| Mitochondrial import inner membrane translocase subunit TIM10 CHEMBL1741194 | IC50 | 5.42 | 5.255 | 3810.0 | 2 |
| Mitochondrial import inner membrane translocase subunit TIM23 CHEMBL1741180 | IC50 | 5.01 | 5.01 | 9860.0 | 1 |
| CHO-K1 CHEMBL614031 | IC50 | 4.27 | 4.27 | 53660.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Orexin/Hypocretin receptor type 1 | IC50 | = | 413.94 | nM | 6.38 | PUBCHEM_BIOASSAY: Homogeneous Time Resolved Fluorescence (HTRF)-based cell-based... | - |
| Orexin/Hypocretin receptor type 1 | IC50 | = | 2828.0 | nM | 5.55 | PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response as... | - |
| Mitochondrial import inner membrane translocase subunit TIM10 | IC50 | = | 3810.0 | nM | 5.42 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
| Mitochondrial import inner membrane translocase subunit TIM10 | IC50 | = | 8030.0 | nM | 5.09 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
| Mitochondrial import inner membrane translocase subunit TIM23 | IC50 | = | 9860.0 | nM | 5.01 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
| CHO-K1 | IC50 | = | 53660.0 | nM | 4.27 | PUBCHEM_BIOASSAY: Counterscreen for antagonists of the orexin 1 receptor (OX1R; ... | - |
Data from ChEMBL 36 via Core Engine