Compound Detail
CHEMBL1417740
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Basic Information
| ChEMBL ID | CHEMBL1417740 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CJCHMDREYATWLL-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
213.7
MW (Da)
3.13
ALogP
1
HBA
0
HBD
12.9
PSA (Ų)
0.61
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.76
IC50 3 meas. best 5.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| H4 CHEMBL1075452 | EC50 | 5.76 | 5.76 | 1732.0 | 1 |
| Heat shock protein hsp-16.2 CHEMBL2146313 | IC50 | 5.59 | 5.59 | 2570.0 | 1 |
| Protein skinhead-1 CHEMBL2146298 | IC50 | 4.9 | 4.805 | 12600.0 | 2 |
| Unchecked CHEMBL612545 | EC50 | 4.76 | 4.69 | 17422.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| H4 | EC50 | = | 1732.0 | nM | 5.76 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Activato... | - |
| Heat shock protein hsp-16.2 | IC50 | = | 2570.0 | nM | 5.59 | PubChem BioAssay. Dose Response Confirmation of SKN-1 Inhibitor hits via a heat-... | - |
| Protein skinhead-1 | IC50 | = | 12600.0 | nM | 4.9 | PubChem BioAssay. Dose Response Confirmation of SKN-1 Inhibitor hits in a fluore... | - |
| Unchecked | EC50 | = | 17422.0 | nM | 4.76 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Acti... | - |
| Protein skinhead-1 | IC50 | = | 19500.0 | nM | 4.71 | PubChem BioAssay. Dose ResponseConfirmation of SKN-1 Inhibitor hits in a fluores... | - |
| Unchecked | EC50 | = | 24052.0 | nM | 4.62 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Activato... | - |
Data from ChEMBL 36 via Core Engine