Compound Detail
CHEMBL2332023
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Basic Information
| ChEMBL ID | CHEMBL2332023 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NJKZWMSYYHZRHK-UHFFFAOYSA-N |
8
Targets
8
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
401.5
MW (Da)
5.16
ALogP
7
HBA
1
HBD
66.0
PSA (Ų)
0.55
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 9.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | IC50 | 9.42 | 9.42 | 0.4 | 1 |
| Jurkat CHEMBL397 | IC50 | 9.4 | 9.4 | 0.4 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 8.82 | 8.82 | 1.5 | 1 |
| HL-60 CHEMBL383 | IC50 | 8.41 | 8.41 | 3.9 | 1 |
| HT-29 CHEMBL384 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| A549 CHEMBL392 | IC50 | 8.14 | 8.14 | 7.2 | 1 |
| MCF7 CHEMBL387 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | IC50 | = | 0.38 | nM | 9.42 | Cytotoxicity against human HeLa cells after 72 hrs by MTT assay | 23445496 |
| Jurkat | IC50 | = | 0.4 | nM | 9.4 | Cytotoxicity against human Jurkat cells after 72 hrs by MTT assay | 23445496 |
| NON-PROTEIN TARGET | IC50 | = | 1.5 | nM | 8.82 | Cytotoxicity against human SEM cells after 72 hrs by MTT assay | 23445496 |
| HL-60 | IC50 | = | 3.9 | nM | 8.41 | Cytotoxicity against human HL60 cells after 72 hrs by MTT assay | 23445496 |
| HT-29 | IC50 | = | 6.0 | nM | 8.22 | Cytotoxicity against human HT-29 cells after 72 hrs by MTT assay | 23445496 |
| A549 | IC50 | = | 7.2 | nM | 8.14 | Cytotoxicity against human A549 cells after 72 hrs by MTT assay | 23445496 |
| MCF7 | IC50 | = | 9.0 | nM | 8.05 | Cytotoxicity against human MCF7 cells after 72 hrs by MTT assay | 23445496 |
| Unchecked | IC50 | = | 1100.0 | nM | 5.96 | 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 | A549 | 1 |
| 23445496 | 10.1021/jm400043d | HT-29 | 1 |
| 23445496 | 10.1021/jm400043d | HL-60 | 1 |
| 23445496 | 10.1021/jm400043d | NON-PROTEIN TARGET | 1 |
| 23445496 | 10.1021/jm400043d | Jurkat | 1 |
| 23445496 | 10.1021/jm400043d | HeLa | 1 |
Data from ChEMBL 36 via Core Engine