Compound Detail
CHEMBL1735962
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Basic Information
| ChEMBL ID | CHEMBL1735962 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HLWKJGWXIYKIAH-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
274.2
MW (Da)
2.64
ALogP
5
HBA
1
HBD
102.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 4.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.57 | 4.415 | 26913.0 | 2 |
| Jurkat CHEMBL397 | IC50 | 4.56 | 4.56 | 27650.0 | 1 |
| HEK293 CHEMBL614818 | IC50 | 4.43 | 4.295 | 37150.0 | 2 |
| No relevant target CHEMBL2362975 | IC50 | 4.35 | 4.35 | 45019.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 26913.0 | nM | 4.57 | PubChem BioAssay. Absorbance-based bacterial cell-based high throughput dose res... | - |
| Jurkat | IC50 | = | 27650.0 | nM | 4.56 | PUBCHEM_BIOASSAY: SAR Analysis of small molecule inhibitors of T-cell specific a... | - |
| HEK293 | IC50 | = | 37150.0 | nM | 4.43 | PUBCHEM_BIOASSAY: SAR Analysis of small molecule inhibitors of T-cell specific a... | - |
| No relevant target | IC50 | = | 45019.0 | nM | 4.35 | PubChem BioAssay. Counterscreen for inhibitors of RecBCD: Absorbance-based cell-... | - |
| Unchecked | IC50 | = | 54700.0 | nM | 4.26 | PUBCHEM_BIOASSAY: SAR Analysis of small molecule inhibitors of T-cell specific a... | - |
| HEK293 | IC50 | = | 69300.0 | nM | 4.16 | PUBCHEM_BIOASSAY: SAR analysis of small molecule cytotoxicity in HEK293 cells fo... | - |
Data from ChEMBL 36 via Core Engine