Compound Detail
CHEMBL1483355
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Basic Information
| ChEMBL ID | CHEMBL1483355 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YRTAACQWZGOVPA-UHFFFAOYSA-N |
1
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
252.2
MW (Da)
0.45
ALogP
8
HBA
1
HBD
129.0
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 4.68
EC50 2 meas. best 6.75
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 179.0 | nM | 6.75 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Unchecked | EC50 | = | 13580.0 | nM | 4.87 | PUBCHEM_BIOASSAY: A cytotoxicity screen of small molecule inhibitors of the PhoP... | - |
| Unchecked | IC50 | = | 21065.0 | nM | 4.68 | PUBCHEM_BIOASSAY: Absorbance-based bacterial cell-based high throughput dose res... | - |
| Unchecked | IC50 | = | 28385.0 | nM | 4.55 | PUBCHEM_BIOASSAY: A screen for inhibitors of the PhoP region in Salmonella Typhi... | - |
| Unchecked | IC50 | = | 52290.0 | nM | 4.28 | PUBCHEM_BIOASSAY: A small molecule screen for inhibitors of the PhoP region in S... | - |
| Unchecked | IC50 | = | 61670.0 | nM | 4.21 | PUBCHEM_BIOASSAY: Counterscreen for AddAB inhibitors: absorbance-based bacterial... | - |
| Unchecked | IC50 | = | 80030.0 | nM | 4.1 | PUBCHEM_BIOASSAY: A counter screen for small molecule screen for inhibitors of t... | - |
Data from ChEMBL 36 via Core Engine