Compound Detail
CHEMBL589670
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Basic Information
| ChEMBL ID | CHEMBL589670 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IPMOWSRTDLAZFY-UHFFFAOYSA-N |
| Parent Compound | CHEMBL532239 |
| Active Moiety | CHEMBL532239 |
1
Targets
8
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
359.2
MW (Da)
3.54
ALogP
5
HBA
3
HBD
70.1
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 6.21
IC50 3 meas. best 5.16
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 620.0 | nM | 6.21 | PUBCHEM_BIOASSAY: A cytotoxicity screen of small molecule inhibitors of the PhoP... | - |
| Unchecked | EC50 | = | 801.0 | nM | 6.1 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Unchecked | EC50 | = | 5170.0 | nM | 5.29 | PUBCHEM_BIOASSAY: Dose response counterscreen of small molecule activators of th... | - |
| Unchecked | EC50 | = | 5820.0 | nM | 5.24 | PUBCHEM_BIOASSAY: Dose response counterscreen for uHTS small molecule activators... | - |
| Unchecked | IC50 | = | 6860.0 | nM | 5.16 | PUBCHEM_BIOASSAY: A small molecule screen for inhibitors of the PhoP region in S... | - |
| Unchecked | EC50 | = | 8180.0 | nM | 5.09 | PUBCHEM_BIOASSAY: Dose response confirmation of small molecule activators of the... | - |
| Unchecked | IC50 | = | 15880.0 | nM | 4.8 | PUBCHEM_BIOASSAY: A counter screen for small molecule screen for inhibitors of t... | - |
| Unchecked | IC50 | = | 18985.0 | nM | 4.72 | PUBCHEM_BIOASSAY: A screen for inhibitors of the PhoP region in Salmonella Typhi... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20485428 | 10.1038/nature09099 | Plasmodium falciparum | 2 |
Data from ChEMBL 36 via Core Engine