Compound Detail
CHEMBL1575389
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Basic Information
| ChEMBL ID | CHEMBL1575389 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TYHSPMPGRFODKV-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
312.4
MW (Da)
4.25
ALogP
4
HBA
1
HBD
64.7
PSA (Ų)
0.60
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 4.91
IC50 3 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Photoreceptor-specific nuclear receptor CHEMBL4374 | IC50 | 6.75 | 6.75 | 177.9 | 1 |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor corepressor 2 CHEMBL2096976 | IC50 | 6.62 | 6.62 | 237.0 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.54 | 5.54 | 2884.3 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.91 | 4.6633 | 12183.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Photoreceptor-specific nuclear receptor | IC50 | = | 177.89 | nM | 6.75 | PUBCHEM_BIOASSAY: TR-FRET-based biochemical high throughput dose response assay ... | - |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor corepressor 2 | IC50 | = | 237.01 | nM | 6.62 | PUBCHEM_BIOASSAY: Counterscreen for agonists of nuclear receptor subfamily 2, gr... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 2884.34 | nM | 5.54 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| Unchecked | EC50 | = | 12183.0 | nM | 4.91 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Inhibito... | - |
| Unchecked | EC50 | = | 16503.0 | nM | 4.78 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Inhibito... | - |
| Unchecked | EC50 | = | 50508.0 | nM | 4.3 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
Data from ChEMBL 36 via Core Engine