Compound Detail
CHEMBL1451736
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Basic Information
| ChEMBL ID | CHEMBL1451736 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GKIZFUIPCXIFCH-GXDHUFHOSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
274.3
MW (Da)
4.24
ALogP
2
HBA
1
HBD
48.8
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 6.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.36 | 6.36 | 441.0 | 1 |
| BJ CHEMBL614358 | EC50 | 6.15 | 5.5333 | 706.0 | 3 |
| Heat shock factor protein 1 CHEMBL5313 | EC50 | 4.41 | 4.41 | 39160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 441.0 | nM | 6.36 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| BJ | EC50 | = | 706.0 | nM | 6.15 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| BJ | EC50 | = | 1757.0 | nM | 5.75 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| BJ | EC50 | = | 20002.0 | nM | 4.7 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Comp... | - |
| Heat shock factor protein 1 | EC50 | = | 39160.0 | nM | 4.41 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Retest to Identify Potentiators o... | - |
Data from ChEMBL 36 via Core Engine