Compound Detail
CHEMBL4092941
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Basic Information
| ChEMBL ID | CHEMBL4092941 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UEJSGMIHFGLGLC-UHFFFAOYSA-N |
| Parent Compound | CHEMBL4116615 |
| Active Moiety | CHEMBL4116615 |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
282.5
MW (Da)
4.63
ALogP
2
HBA
2
HBD
38.0
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.84
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1440.0 | nM | 5.84 | Antiproliferative activity against human L3.6p1 cells after 48 hrs in presence o... | 28976754 |
| CHO-MG | IC50 | = | 2370.0 | nM | 5.62 | Cytotoxicity against CHO-MG cells assessed as reduction in cell viability after ... | 28976754 |
| Unchecked | IC50 | = | 2660.0 | nM | 5.58 | Substrate activity at PTS in CHO cells assessed as reduction in cell viability a... | 28976754 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28976754 | 10.1021/acs.jmedchem.7b01222 | Unchecked | 6 |
| 28976754 | 10.1021/acs.jmedchem.7b01222 | CHO-MG | 1 |
Data from ChEMBL 36 via Core Engine