Compound Detail
CHEMBL18670
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Basic Information
| ChEMBL ID | CHEMBL18670 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DUQSFLFKFAGWIS-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
252.3
MW (Da)
3.01
ALogP
4
HBA
1
HBD
55.2
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.31
IC50 2 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania braziliensis CHEMBL612878 | EC50 | 5.31 | 5.31 | 4890.0 | 1 |
| Leishmania mexicana CHEMBL612880 | EC50 | 5.28 | 5.28 | 5290.0 | 1 |
| Leishmania amazonensis CHEMBL612877 | EC50 | 5.04 | 5.04 | 9140.0 | 1 |
| Tubulin CHEMBL2094134 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania braziliensis | EC50 | = | 4890.0 | nM | 5.31 | Antileishmanial activity against Leishmania braziliensis assessed as inhibition ... | 35434631 |
| Leishmania mexicana | EC50 | = | 5290.0 | nM | 5.28 | Antileishmanial activity against Leishmania mexicana assessed as inhibition of p... | 35434631 |
| Leishmania amazonensis | EC50 | = | 9140.0 | nM | 5.04 | Antileishmanial activity against Leishmania amazonensis assessed as inhibition o... | 35434631 |
| Tubulin | IC50 | = | 12000.0 | nM | 4.92 | Inhibition of bovine tubulin polymerization | 11087572 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11087572 | 10.1021/jm000151c | KB | 3 |
| 11354375 | 10.1016/s0960-894x(01)00190-1 | KB | 2 |
| 11087572 | 10.1021/jm000151c | Tubulin | 2 |
| 11087572 | 10.1021/jm000151c | 1A9 | 2 |
| 11087572 | 10.1021/jm000151c | HCT-8 | 2 |
| 11087572 | 10.1021/jm000151c | A549 | 2 |
| 11087572 | 10.1021/jm000151c | SK-MEL-2 | 2 |
| 11087572 | 10.1021/jm000151c | HOS | 2 |
| 11087572 | 10.1021/jm000151c | PC-3 | 2 |
| 35434631 | 10.1039/d1md00336d | Leishmania amazonensis | 1 |
| 11354375 | 10.1016/s0960-894x(01)00190-1 | Tubulin | 1 |
| 35434631 | 10.1039/d1md00336d | Leishmania mexicana | 1 |
| 35434631 | 10.1039/d1md00336d | Leishmania braziliensis | 1 |
| 27145071 | 10.1021/acs.jmedchem.5b01891 | Nuclear receptor subfamily 1 group I member 3 | 1 |
| 11087572 | 10.1021/jm000151c | MCF7 | 1 |
| 11087572 | 10.1021/jm000151c | U-87 MG | 1 |
| 11354375 | 10.1016/s0960-894x(01)00190-1 | 1A9 | 1 |
| 11354375 | 10.1016/s0960-894x(01)00190-1 | A549 | 1 |
| 11354375 | 10.1016/s0960-894x(01)00190-1 | MCF7 | 1 |
| 11354375 | 10.1016/s0960-894x(01)00190-1 | HCT-8 | 1 |
Data from ChEMBL 36 via Core Engine