Compound Detail
CHEMBL1209196
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Basic Information
| ChEMBL ID | CHEMBL1209196 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LIAUJQLOCLVMMH-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
18
Publications
0
Known Names
Molecular Properties
240.3
MW (Da)
2.81
ALogP
3
HBA
1
HBD
55.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
| HeLa CHEMBL399 | IC50 | 4.45 | 4.45 | 35610.0 | 1 |
| A549 CHEMBL392 | IC50 | 4.42 | 4.42 | 37840.0 | 1 |
| L132 CHEMBL613999 | IC50 | 4.41 | 4.41 | 39280.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 4.4 | 4.4 | 39590.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.35 | 4.35 | 44970.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | IC50 | = | 9000.0 | nM | 5.05 | Antileishmanial activity against Leishmania donovani MHOM/80/IN/Dd8 promastigote... | 26791014 |
| HeLa | IC50 | = | 35610.0 | nM | 4.45 | Cytotoxicity against human HeLa cells assessed as reduction in cell viability at... | 26791014 |
| A549 | IC50 | = | 37840.0 | nM | 4.42 | Cytotoxicity against human A-549 cells assessed as reduction in cell viability a... | 26791014 |
| L132 | IC50 | = | 39280.0 | nM | 4.41 | Cytotoxicity against human L-132 cells assessed as reduction in cell viability a... | 26791014 |
| HepG2 | IC50 | = | 39590.0 | nM | 4.4 | Cytotoxicity against human HepG2 cells assessed as reduction in cell viability a... | 26791014 |
| MCF7 | IC50 | = | 44970.0 | nM | 4.35 | Cytotoxicity against human MCF-7 cells assessed as reduction in cell viability a... | 26791014 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34132541 | 10.1021/acs.jmedchem.1c00384 | H9c2 | 6 |
| 21060288 | 10.3390/molecules15117775 | Culex quinquefasciatus | 3 |
| 26791014 | 10.1016/j.bmcl.2015.12.095 | A549 | 1 |
| 26791014 | 10.1016/j.bmcl.2015.12.095 | Unchecked | 1 |
| 26791014 | 10.1016/j.bmcl.2015.12.095 | THP-1 | 1 |
| 26791014 | 10.1016/j.bmcl.2015.12.095 | Leishmania donovani | 1 |
| 26791014 | 10.1016/j.bmcl.2015.12.095 | L132 | 1 |
| 26791014 | 10.1016/j.bmcl.2015.12.095 | MCF7 | 1 |
| 26791014 | 10.1016/j.bmcl.2015.12.095 | HepG2 | 1 |
| 26791014 | 10.1016/j.bmcl.2015.12.095 | HeLa | 1 |
| 20598537 | 10.1016/j.bmcl.2010.06.052 | CCRF-CEM | 1 |
| 29960728 | 10.1016/j.bmc.2018.06.018 | Amyloid-beta precursor protein | 1 |
| 29960728 | 10.1016/j.bmc.2018.06.018 | Acetylcholinesterase | 1 |
| 29960728 | 10.1016/j.bmc.2018.06.018 | Cholinesterase | 1 |
| 29960728 | 10.1016/j.bmc.2018.06.018 | Unchecked | 1 |
| 25819098 | 10.1016/j.bmcl.2015.03.014 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 21060288 | 10.3390/molecules15117775 | Lipaphis erysimi | 1 |
| 20598537 | 10.1016/j.bmcl.2010.06.052 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine