Compound Detail
CHEMBL2332027
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Basic Information
| ChEMBL ID | CHEMBL2332027 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VOKVDQALOUHSKX-UHFFFAOYSA-N |
8
Targets
8
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
459.6
MW (Da)
5.78
ALogP
8
HBA
1
HBD
75.2
PSA (Ų)
0.43
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 8.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 8.64 | 8.64 | 2.3 | 1 |
| HeLa CHEMBL399 | IC50 | 8.46 | 8.46 | 3.5 | 1 |
| HT-29 CHEMBL384 | IC50 | 7.83 | 7.83 | 14.9 | 1 |
| HL-60 CHEMBL383 | IC50 | 7.59 | 7.59 | 25.6 | 1 |
| A549 CHEMBL392 | IC50 | 7.48 | 7.48 | 33.0 | 1 |
| Jurkat CHEMBL397 | IC50 | 7.25 | 7.25 | 56.5 | 1 |
| MCF7 CHEMBL387 | IC50 | 7.02 | 7.02 | 95.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.12 | 6.12 | 760.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 2.3 | nM | 8.64 | Cytotoxicity against human SEM cells after 72 hrs by MTT assay | 23445496 |
| HeLa | IC50 | = | 3.5 | nM | 8.46 | Cytotoxicity against human HeLa cells after 72 hrs by MTT assay | 23445496 |
| HT-29 | IC50 | = | 14.9 | nM | 7.83 | Cytotoxicity against human HT-29 cells after 72 hrs by MTT assay | 23445496 |
| HL-60 | IC50 | = | 25.6 | nM | 7.59 | Cytotoxicity against human HL60 cells after 72 hrs by MTT assay | 23445496 |
| A549 | IC50 | = | 33.0 | nM | 7.48 | Cytotoxicity against human A549 cells after 72 hrs by MTT assay | 23445496 |
| Jurkat | IC50 | = | 56.5 | nM | 7.25 | Cytotoxicity against human Jurkat cells after 72 hrs by MTT assay | 23445496 |
| MCF7 | IC50 | = | 95.0 | nM | 7.02 | Cytotoxicity against human MCF7 cells after 72 hrs by MTT assay | 23445496 |
| Unchecked | IC50 | = | 760.0 | nM | 6.12 | Inhibition of bovine brain tubulin polymerization after 20 mins by turbidimetric... | 23445496 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23445496 | 10.1021/jm400043d | Unchecked | 3 |
| 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 | HT-29 | 1 |
| 23445496 | 10.1021/jm400043d | HeLa | 1 |
| 23445496 | 10.1021/jm400043d | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine