Compound Detail
CHEMBL4855737
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Basic Information
| ChEMBL ID | CHEMBL4855737 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JKQZNHXRQKCZNM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
401.4
MW (Da)
2.06
ALogP
8
HBA
4
HBD
138.5
PSA (Ų)
0.47
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RPMI-8226 CHEMBL614882 | IC50 | 4.18 | 4.18 | 66230.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RPMI-8226 | IC50 | = | 66230.0 | nM | 4.18 | Antiproliferative activity against human RPMI-8226 cells assessed as inhibition ... | 34644502 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34644502 | 10.1021/acs.jmedchem.1c00087 | RPMI-8226 | 1 |
Data from ChEMBL 36 via Core Engine