Compound Detail
CHEMBL1528481
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Basic Information
| ChEMBL ID | CHEMBL1528481 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RAPSJUMZFUHTDD-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
319.3
MW (Da)
0.56
ALogP
5
HBA
3
HBD
96.0
PSA (Ų)
0.55
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.61
EC50 2 meas. best 5.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.26 | 5.26 | 5510.0 | 1 |
| Hexokinase HKDC1 CHEMBL1741200 | EC50 | 4.84 | 4.84 | 14500.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.61 | 4.55 | 24430.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 5510.0 | nM | 5.26 | PUBCHEM_BIOASSAY: A cytotoxicity screen of small molecule inhibitors of the PhoP... | - |
| Hexokinase HKDC1 | EC50 | = | 14500.0 | nM | 4.84 | PUBCHEM_BIOASSAY: Dose Response confirmation of activators of hexokinase domain ... | - |
| Unchecked | IC50 | = | 24430.0 | nM | 4.61 | PUBCHEM_BIOASSAY: A counter screen for small molecule screen for inhibitors of t... | - |
| Unchecked | IC50 | = | 25122.0 | nM | 4.6 | PUBCHEM_BIOASSAY: A screen for inhibitors of the PhoP region in Salmonella Typhi... | - |
| Unchecked | IC50 | = | 36140.0 | nM | 4.44 | PUBCHEM_BIOASSAY: A small molecule screen for inhibitors of the PhoP region in S... | - |
Data from ChEMBL 36 via Core Engine