Compound Detail
CHEMBL3740269
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3740269 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OGLCSQUVPUFRLX-KPKJPENVSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
356.4
MW (Da)
3.25
ALogP
6
HBA
1
HBD
74.2
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PC-3 CHEMBL390 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
| A549 CHEMBL392 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
| HeLa CHEMBL399 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
| Bel-7402 CHEMBL614279 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
| Tubulin CHEMBL2095182 | IC50 | 5.12 | 5.12 | 7560.0 | 1 |
| Tubulin CHEMBL2111354 | IC50 | 5.12 | 5.12 | 7560.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | IC50 | = | 170.0 | nM | 6.77 | Antiproliferative activity against human HeLa cells assessed as reduction in cel... | 36126323 |
| A549 | IC50 | = | 170.0 | nM | 6.77 | Antiproliferative activity against human A549 cells assessed as reduction in cel... | 36126323 |
| Bel-7402 | IC50 | = | 170.0 | nM | 6.77 | Antiproliferative activity against human Bel-7402 cells assessed as reduction in... | 36126323 |
| PC-3 | IC50 | = | 170.0 | nM | 6.77 | Antiproliferative activity against human PC-3 cells assessed as reduction in cel... | 36126323 |
| MDA-MB-231 | IC50 | = | 170.0 | nM | 6.77 | Antiproliferative activity against human MDA-MB-231 cells assessed as reduction ... | 36126323 |
| Tubulin | IC50 | = | 7560.0 | nM | 5.12 | Inhibition of tubulin polymerization (unknown origin) by fluorescence analysis | - |
| Tubulin | IC50 | = | 7560.0 | nM | 5.12 | Inhibition of porcine brain tubulin polymerization preincubated for 1 mins follo... | 36126323 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C5MD00139K | HeLa | 18 |
| - | 10.1039/C5MD00139K | Unchecked | 3 |
| - | 10.1039/C5MD00139K | NON-PROTEIN TARGET | 2 |
| - | 10.1039/C5MD00139K | A549 | 1 |
| - | 10.1039/C5MD00139K | MDA-MB-231 | 1 |
| - | 10.1039/C5MD00139K | Tubulin | 1 |
| 36126323 | 10.1021/acs.jmedchem.2c01150 | Tubulin | 1 |
| 36126323 | 10.1021/acs.jmedchem.2c01150 | HeLa | 1 |
| 36126323 | 10.1021/acs.jmedchem.2c01150 | A549 | 1 |
| 36126323 | 10.1021/acs.jmedchem.2c01150 | Bel-7402 | 1 |
| 36126323 | 10.1021/acs.jmedchem.2c01150 | PC-3 | 1 |
| 36126323 | 10.1021/acs.jmedchem.2c01150 | MDA-MB-231 | 1 |
Data from ChEMBL 36 via Core Engine