Compound Detail
CHEMBL509991
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Basic Information
| ChEMBL ID | CHEMBL509991 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NHOUSLDMCXHZNL-LNKPDPKZSA-N |
| Parent Compound | CHEMBL1187575 |
| Active Moiety | CHEMBL1187575 |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
311.4
MW (Da)
4.67
ALogP
4
HBA
1
HBD
44.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.44
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3.6 | nM | 8.44 | Inhibition of tubulin polymerization | 18783207 |
| Unchecked | IC50 | = | 6.2 | nM | 8.21 | Displacement of [3H]colchicine from tubulin by scintillation proximity assay | 18783207 |
| NCI-H460 | IC50 | = | 19.0 | nM | 7.72 | Cytotoxicity against human H460 cells by sulforhodamine B test | 18783207 |
| BMEC | IC50 | = | 20.0 | nM | 7.7 | Cytotoxicity against BMEC by sulforhodamine B test | 18783207 |
| HT-29 | IC50 | = | 21.0 | nM | 7.68 | Cytotoxicity against human HT29 cells by sulforhodamine B test | 18783207 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18783207 | 10.1021/jm8005004 | HT-29 | 4 |
| 18783207 | 10.1021/jm8005004 | Unchecked | 2 |
| 18783207 | 10.1021/jm8005004 | BMEC | 1 |
| 18783207 | 10.1021/jm8005004 | NCI-H460 | 1 |
Data from ChEMBL 36 via Core Engine