Compound Detail
CHEMBL1445710
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Basic Information
| ChEMBL ID | CHEMBL1445710 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FWTKCGPBIORMCU-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
373.5
MW (Da)
3.79
ALogP
5
HBA
1
HBD
57.3
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.38
EC50 2 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.52 | 5.5 | 3010.0 | 2 |
| DNA damage-inducible transcript 3 protein CHEMBL2146304 | IC50 | 5.38 | 5.38 | 4130.0 | 1 |
| X-box-binding protein 1 CHEMBL1741176 | IC50 | 5.31 | 5.31 | 4900.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.62 | 4.595 | 24170.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 3010.0 | nM | 5.52 | PUBCHEM_BIOASSAY: Fluorescent HTS Cytotoxicity/Cell viability assay (HPDE-C7K ce... | - |
| Unchecked | EC50 | = | 3330.0 | nM | 5.48 | PUBCHEM_BIOASSAY: Fluorescent HTS Cytotoxicity/Cell viability assay (HPDE-C7 cel... | - |
| DNA damage-inducible transcript 3 protein | IC50 | = | 4130.0 | nM | 5.38 | PUBCHEM_BIOASSAY: CHOP dose-response primary assay. (Class of assay: confirmator... | - |
| X-box-binding protein 1 | IC50 | = | 4900.0 | nM | 5.31 | PUBCHEM_BIOASSAY: XBP1 DR counterscreen for CHOP. (Class of assay: confirmatory)... | - |
| Unchecked | IC50 | = | 24170.0 | nM | 4.62 | PUBCHEM_BIOASSAY: High Throughput Screening Assay used to Identify Novel Compoun... | - |
| Unchecked | IC50 | = | 27100.0 | nM | 4.57 | PUBCHEM_BIOASSAY: A High Throughput Confirmatory Assay used to Identify Novel Co... | - |
Data from ChEMBL 36 via Core Engine