Compound Detail
CHEMBL1369231
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Basic Information
| ChEMBL ID | CHEMBL1369231 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SMSLFSMAYOUFSR-UHFFFAOYSA-N |
3
Targets
8
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
332.4
MW (Da)
2.44
ALogP
5
HBA
2
HBD
99.8
PSA (Ų)
0.76
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 6.31
IC50 3 meas. best 6.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.34 | 6.0367 | 460.0 | 3 |
| Unchecked CHEMBL612545 | EC50 | 6.31 | 5.87 | 491.0 | 2 |
| Nucleic Acid CHEMBL345 | EC50 | 6.17 | 6.17 | 670.0 | 1 |
| Zinc finger protein mex-5 CHEMBL1293319 | EC50 | 5.13 | 5.13 | 7362.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 460.0 | nM | 6.34 | PUBCHEM_BIOASSAY: Dose Response selectivity of uHTS chemical inhibitors of B-cel... | - |
| Unchecked | EC50 | = | 491.0 | nM | 6.31 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Nucleic Acid | EC50 | = | 670.0 | nM | 6.17 | PUBCHEM_BIOASSAY: Luminescent HTS for small molecule inhibitors of MT1-MMP trans... | - |
| Unchecked | IC50 | = | 1230.0 | nM | 5.91 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS of chemical inhibitors of B... | - |
| Unchecked | IC50 | = | 1380.0 | nM | 5.86 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of B-c... | - |
| Unchecked | EC50 | = | 3698.0 | nM | 5.43 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Inhibito... | - |
| Zinc finger protein mex-5 | EC50 | = | 7362.0 | nM | 5.13 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
Data from ChEMBL 36 via Core Engine