Compound Detail
CHEMBL1460853
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Basic Information
| ChEMBL ID | CHEMBL1460853 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | APTPKWBRUGHNJB-UHFFFAOYSA-N |
2
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
466.5
MW (Da)
2.57
ALogP
7
HBA
1
HBD
76.0
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 4.57
EC50 2 meas. best 5.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.93 | 5.2 | 1164.0 | 2 |
| No relevant target CHEMBL2362975 | IC50 | 4.57 | 4.57 | 26725.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.57 | 4.26 | 26743.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 1164.0 | nM | 5.93 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| No relevant target | IC50 | = | 26725.0 | nM | 4.57 | PubChem BioAssay. Counterscreen for inhibitors of RecBCD: Absorbance-based cell-... | - |
| Unchecked | IC50 | = | 26743.0 | nM | 4.57 | PubChem BioAssay. Absorbance-based bacterial cell-based high throughput dose res... | - |
| Unchecked | EC50 | = | 33900.0 | nM | 4.47 | PUBCHEM_BIOASSAY: A cytotoxicity screen of small molecule inhibitors of the PhoP... | - |
| Unchecked | IC50 | = | 62960.0 | nM | 4.2 | PUBCHEM_BIOASSAY: A small molecule screen for inhibitors of the PhoP region in S... | - |
| Unchecked | IC50 | = | 98360.0 | nM | 4.01 | PUBCHEM_BIOASSAY: A counter screen for small molecule screen for inhibitors of t... | - |
Data from ChEMBL 36 via Core Engine