Compound Detail
CHEMBL1392570
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Basic Information
| ChEMBL ID | CHEMBL1392570 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IIVGGZPSIBJXJU-UHFFFAOYSA-N |
4
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
271.3
MW (Da)
1.16
ALogP
4
HBA
2
HBD
80.3
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.71
EC50 3 meas. best 6.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.37 | 6.37 | 429.0 | 1 |
| Luciferin 4-monooxygenase CHEMBL5567 | EC50 | 6.01 | 6.01 | 980.0 | 1 |
| Heat shock factor protein 1 CHEMBL5313 | EC50 | 5.96 | 5.96 | 1106.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.71 | 5.51 | 1930.0 | 3 |
| DNA damage-inducible transcript 3 protein CHEMBL2146304 | IC50 | 5.51 | 5.51 | 3120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 429.0 | nM | 6.37 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Luciferin 4-monooxygenase | EC50 | = | 980.0 | nM | 6.01 | PUBCHEM_BIOASSAY: Luminescence Biochemical Dose Response HTS to Identify Inhibit... | - |
| Heat shock factor protein 1 | EC50 | = | 1106.0 | nM | 5.96 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Unchecked | IC50 | = | 1930.0 | nM | 5.71 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS chemical inhibitors of T-ce... | - |
| Unchecked | IC50 | = | 2920.0 | nM | 5.54 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of T-c... | - |
| DNA damage-inducible transcript 3 protein | IC50 | = | 3120.0 | nM | 5.51 | PUBCHEM_BIOASSAY: CHOP dose-response primary assay. (Class of assay: confirmator... | - |
| Unchecked | IC50 | = | 5200.0 | nM | 5.28 | PUBCHEM_BIOASSAY: Dose Response selectivity of uHTS chemical inhibitors of T-cel... | - |
Data from ChEMBL 36 via Core Engine