Compound Detail
CHEMBL1312377
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Basic Information
| ChEMBL ID | CHEMBL1312377 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MFBJIOCCILCQCM-UHFFFAOYSA-N |
6
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
359.4
MW (Da)
2.04
ALogP
8
HBA
0
HBD
111.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 5.18
IC50 1 meas. best 5.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hexokinase-1 CHEMBL2688 | EC50 | 5.18 | 5.18 | 6540.0 | 1 |
| Hexokinase HKDC1 CHEMBL1741200 | EC50 | 5.08 | 5.08 | 8320.0 | 1 |
| Type-1 angiotensin II receptor CHEMBL227 | IC50 | 5.06 | 5.06 | 8724.0 | 1 |
| Beta-galactosidase CHEMBL1293264 | EC50 | 4.83 | 4.83 | 14959.0 | 1 |
| Endoribonuclease toxin MazF CHEMBL1795096 | EC50 | 4.69 | 4.515 | 20500.0 | 2 |
| RNA-binding protein pos-1 CHEMBL1293304 | EC50 | 4.35 | 4.35 | 44236.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hexokinase-1 | EC50 | = | 6540.0 | nM | 5.18 | PUBCHEM_BIOASSAY: Dose Response confirmation of activators of hexokinase domain ... | - |
| Hexokinase HKDC1 | EC50 | = | 8320.0 | nM | 5.08 | PUBCHEM_BIOASSAY: Dose Response confirmation of activators of hexokinase domain ... | - |
| Type-1 angiotensin II receptor | IC50 | = | 8724.0 | nM | 5.06 | PUBCHEM_BIOASSAY: Dose Response screen for antagonists of Angiotensin II Recepto... | - |
| Beta-galactosidase | EC50 | = | 14959.0 | nM | 4.83 | PUBCHEM_BIOASSAY: HTS Dose response counterscreen for assays utilizing the enzym... | - |
| Endoribonuclease toxin MazF | EC50 | = | 20500.0 | nM | 4.69 | PUBCHEM_BIOASSAY: Dose response confirmation uHTS hits for MazEF TA System activ... | - |
| RNA-binding protein pos-1 | EC50 | = | 44236.0 | nM | 4.35 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| Endoribonuclease toxin MazF | EC50 | = | 45200.0 | nM | 4.34 | PUBCHEM_BIOASSAY: Dose response confirmation uHTS hits for MazEF TA System activ... | - |
Data from ChEMBL 36 via Core Engine