Compound Detail
CHEMBL4474391
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Basic Information
| ChEMBL ID | CHEMBL4474391 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PFKJLVPOGRJSLF-UHFFFAOYSA-N |
8
Targets
9
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
334.7
MW (Da)
2.66
ALogP
3
HBA
0
HBD
9.7
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 4.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RPMI-8226 CHEMBL614882 | IC50 | 4.71 | 4.71 | 19500.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 4.69 | 4.69 | 20370.0 | 1 |
| KG-1a CHEMBL4296453 | IC50 | 4.5 | 4.5 | 31400.0 | 1 |
| NCI-H929 CHEMBL4296391 | IC50 | 4.47 | 4.47 | 33600.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.43 | 4.43 | 37100.0 | 1 |
| PBMC CHEMBL613107 | IC50 | 4.43 | 4.43 | 37200.0 | 1 |
| SK-UT-1 CHEMBL2366316 | IC50 | 4.3 | 4.3 | 50400.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.25 | 4.25 | 56800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RPMI-8226 | IC50 | = | 19500.0 | nM | 4.71 | Cytotoxicity against human RPMI8226 cells assessed as reduction in cell viabilit... | - |
| HL-60 | IC50 | = | 20370.0 | nM | 4.69 | Cytotoxicity against human HL60 cells assessed as reduction in cell viability in... | - |
| KG-1a | IC50 | = | 31400.0 | nM | 4.5 | Cytotoxicity against human KG1a cells assessed as reduction in cell viability in... | - |
| NCI-H929 | IC50 | = | 33600.0 | nM | 4.47 | Cytotoxicity against human NCI-H929 cells assessed as reduction in cell viabilit... | - |
| PBMC | IC50 | = | 37200.0 | nM | 4.43 | Cytotoxicity against human PBMC cells assessed as reduction in cell viability in... | - |
| MCF7 | IC50 | = | 37100.0 | nM | 4.43 | Cytotoxicity against human MCF7 cells assessed as reduction in cell viability in... | - |
| SK-UT-1 | IC50 | = | 50400.0 | nM | 4.3 | Cytotoxicity against human SK-UT-1 cells assessed as reduction in cell viability... | - |
| Unchecked | IC50 | = | 56800.0 | nM | 4.25 | Cytotoxicity against human Flow 2000 cells assessed as reduction in cell viabili... | - |
Data from ChEMBL 36 via Core Engine