Compound Detail
CHEMBL4293246
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Basic Information
| ChEMBL ID | CHEMBL4293246 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WXMZQBQNTYQREM-GIDUJCDVSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
261.3
MW (Da)
2.13
ALogP
2
HBA
2
HBD
36.4
PSA (Ų)
0.49
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-29 CHEMBL384 | IC50 | 5.3 | 5.3 | 5060.0 | 1 |
| HEp-2 CHEMBL614735 | IC50 | 4.9 | 4.9 | 12580.0 | 1 |
| K562 CHEMBL385 | IC50 | 4.88 | 4.88 | 13250.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 4.76 | 4.76 | 17220.0 | 1 |
| NCI-H292 CHEMBL614733 | IC50 | 4.68 | 4.68 | 20830.0 | 1 |
| PBMC CHEMBL613107 | IC50 | 4.03 | 4.03 | 93310.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-29 | IC50 | = | 5060.0 | nM | 5.3 | Cytotoxicity against human HT-29 cells assessed as inhibition of cell viability ... | 29329071 |
| HEp-2 | IC50 | = | 12580.0 | nM | 4.9 | Cytotoxicity against human Hep2 cells assessed as inhibition of cell viability a... | 29329071 |
| K562 | IC50 | = | 13250.0 | nM | 4.88 | Cytotoxicity against human K562 cells assessed as inhibition of cell viability a... | 29329071 |
| HL-60 | IC50 | = | 17220.0 | nM | 4.76 | Cytotoxicity against human HL60 cells assessed as inhibition of cell viability a... | 29329071 |
| NCI-H292 | IC50 | = | 20830.0 | nM | 4.68 | Cytotoxicity against human NCI-H292 cells assessed as inhibition of cell viabili... | 29329071 |
| PBMC | IC50 | = | 93310.0 | nM | 4.03 | Cytotoxicity against human PBMC cells assessed as inhibition of cell viability a... | 29329071 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29329071 | 10.1016/j.ejmech.2017.12.040 | NCI-H292 | 2 |
| 29329071 | 10.1016/j.ejmech.2017.12.040 | HEp-2 | 2 |
| 29329071 | 10.1016/j.ejmech.2017.12.040 | HT-29 | 2 |
| 29329071 | 10.1016/j.ejmech.2017.12.040 | HL-60 | 2 |
| 29329071 | 10.1016/j.ejmech.2017.12.040 | K562 | 2 |
| 29329071 | 10.1016/j.ejmech.2017.12.040 | Erythrocyte | 1 |
| 29329071 | 10.1016/j.ejmech.2017.12.040 | PBMC | 1 |
Data from ChEMBL 36 via Core Engine