Compound Detail
CHEMBL1967099
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Basic Information
| ChEMBL ID | CHEMBL1967099 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BZEPJPZUELCMEC-XCVCLJGOSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
266.2
MW (Da)
-0.08
ALogP
9
HBA
2
HBD
162.7
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.97
EC50 2 meas. best 5.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nucleotide-binding oligomerization domain-containing protein 2 CHEMBL1293266 | EC50 | 5.26 | 5.26 | 5540.0 | 1 |
| HEK293 CHEMBL614818 | EC50 | 5.07 | 5.07 | 8500.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.97 | 4.9 | 10784.0 | 2 |
| Exodeoxyribonuclease V CHEMBL2095232 | IC50 | 4.25 | 4.25 | 56351.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nucleotide-binding oligomerization domain-containing protein 2 | EC50 | = | 5540.0 | nM | 5.26 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
| HEK293 | EC50 | = | 8500.0 | nM | 5.07 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
| Unchecked | IC50 | = | 10784.0 | nM | 4.97 | PUBCHEM_BIOASSAY: Absorbance-based bacterial cell-based high throughput dose res... | - |
| Unchecked | IC50 | = | 14947.0 | nM | 4.83 | PUBCHEM_BIOASSAY: Counterscreen for AddAB inhibitors: absorbance-based bacterial... | - |
| Exodeoxyribonuclease V | IC50 | = | 56351.0 | nM | 4.25 | PUBCHEM_BIOASSAY: Counterscreen for AddAB inhibitors: absorbance-based bacterial... | - |
Data from ChEMBL 36 via Core Engine