Compound Detail
CHEMBL3623597
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Basic Information
| ChEMBL ID | CHEMBL3623597 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YBYGRRULPVLBRP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
313.4
MW (Da)
4.06
ALogP
3
HBA
1
HBD
61.6
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tubulin CHEMBL2111464 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tubulin | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of bovine brain tubulin polymerization assessed as protein assembly a... | 26418966 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26418966 | 10.1021/acs.jmedchem.5b00805 | NON-PROTEIN TARGET | 3 |
| 26418966 | 10.1021/acs.jmedchem.5b00805 | Tubulin | 2 |
| 26418966 | 10.1021/acs.jmedchem.5b00805 | CCRF-CEM | 1 |
| 26418966 | 10.1021/acs.jmedchem.5b00805 | OVCAR-3 | 1 |
| 26418966 | 10.1021/acs.jmedchem.5b00805 | MCF7 | 1 |
| 26418966 | 10.1021/acs.jmedchem.5b00805 | HT-29 | 1 |
| 26418966 | 10.1021/acs.jmedchem.5b00805 | A549 | 1 |
| 26418966 | 10.1021/acs.jmedchem.5b00805 | HeLa | 1 |
| 26418966 | 10.1021/acs.jmedchem.5b00805 | HL-60 | 1 |
| 26418966 | 10.1021/acs.jmedchem.5b00805 | K562 | 1 |
| 26418966 | 10.1021/acs.jmedchem.5b00805 | Jurkat | 1 |
| 26418966 | 10.1021/acs.jmedchem.5b00805 | MV4-11 | 1 |
| 26418966 | 10.1021/acs.jmedchem.5b00805 | THP-1 | 1 |
Data from ChEMBL 36 via Core Engine