Compound Detail
CHEMBL502304
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Basic Information
| ChEMBL ID | CHEMBL502304 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SOEBUSCNBNZIRA-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1187421 |
| Active Moiety | CHEMBL1187421 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
237.3
MW (Da)
2.11
ALogP
3
HBA
1
HBD
49.8
PSA (Ų)
0.79
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HCC 2998 CHEMBL613855 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCC 2998 | IC50 | = | 2000.0 | nM | 5.7 | Cytotoxicity against human HCC2998 cells | 16996657 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18282710 | 10.1016/j.bmc.2008.02.009 | Mus musculus | 4 |
| 16996657 | 10.1016/j.ejmech.2006.08.002 | ADMET | 1 |
| 16996657 | 10.1016/j.ejmech.2006.08.002 | CCRF-CEM | 1 |
| 16996657 | 10.1016/j.ejmech.2006.08.002 | L1210 | 1 |
| 16996657 | 10.1016/j.ejmech.2006.08.002 | HCC 2998 | 1 |
| 18282710 | 10.1016/j.bmc.2008.02.009 | No relevant target | 1 |
| 18282710 | 10.1016/j.bmc.2008.02.009 | Mycobacterium tuberculosis | 1 |
Data from ChEMBL 36 via Core Engine