Compound Detail
CHEMBL2332019
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Basic Information
| ChEMBL ID | CHEMBL2332019 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KIPNZHZJCFENSY-UHFFFAOYSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
387.5
MW (Da)
4.77
ALogP
7
HBA
1
HBD
66.0
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-29 CHEMBL384 | IC50 | 5.99 | 5.99 | 1024.0 | 1 |
| HeLa CHEMBL399 | IC50 | 5.89 | 5.89 | 1301.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.6 | 5.6 | 2505.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 5.47 | 5.47 | 3385.0 | 1 |
| A549 CHEMBL392 | IC50 | 5.34 | 5.34 | 4578.0 | 1 |
| Jurkat CHEMBL397 | IC50 | 5.17 | 5.17 | 6710.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 5.09 | 5.09 | 8192.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-29 | IC50 | = | 1024.0 | nM | 5.99 | Cytotoxicity against human HT-29 cells after 72 hrs by MTT assay | 23445496 |
| HeLa | IC50 | = | 1301.0 | nM | 5.89 | Cytotoxicity against human HeLa cells after 72 hrs by MTT assay | 23445496 |
| NON-PROTEIN TARGET | IC50 | = | 2505.0 | nM | 5.6 | Cytotoxicity against human SEM cells after 72 hrs by MTT assay | 23445496 |
| HL-60 | IC50 | = | 3385.0 | nM | 5.47 | Cytotoxicity against human HL60 cells after 72 hrs by MTT assay | 23445496 |
| A549 | IC50 | = | 4578.0 | nM | 5.34 | Cytotoxicity against human A549 cells after 72 hrs by MTT assay | 23445496 |
| Jurkat | IC50 | = | 6710.0 | nM | 5.17 | Cytotoxicity against human Jurkat cells after 72 hrs by MTT assay | 23445496 |
| MCF7 | IC50 | = | 8192.0 | nM | 5.09 | Cytotoxicity against human MCF7 cells after 72 hrs by MTT assay | 23445496 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23445496 | 10.1021/jm400043d | MCF7 | 1 |
| 23445496 | 10.1021/jm400043d | Jurkat | 1 |
| 23445496 | 10.1021/jm400043d | A549 | 1 |
| 23445496 | 10.1021/jm400043d | HL-60 | 1 |
| 23445496 | 10.1021/jm400043d | NON-PROTEIN TARGET | 1 |
| 23445496 | 10.1021/jm400043d | HeLa | 1 |
| 23445496 | 10.1021/jm400043d | HT-29 | 1 |
Data from ChEMBL 36 via Core Engine