Compound Detail
CHEMBL469166
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 | CHEMBL469166 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QIFZZXZSSXRDOT-NYYWCZLTSA-N |
6
Targets
7
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
253.3
MW (Da)
3.17
ALogP
3
HBA
1
HBD
52.3
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MOLT-4 CHEMBL614177 | IC50 | 5.07 | 5.07 | 8600.0 | 1 |
| HeLa CHEMBL399 | IC50 | 5.06 | 5.06 | 8700.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 4.98 | 4.98 | 10500.0 | 1 |
| CCRF-CEM CHEMBL382 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
| L1210 CHEMBL386 | IC50 | 4.75 | 4.75 | 18000.0 | 1 |
| FM3A CHEMBL614297 | IC50 | 4.46 | 4.46 | 35000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MOLT-4 | IC50 | = | 8600.0 | nM | 5.07 | Antiproliferative activity against human MOLT4 cells after 48 hrs by Coulter cou... | 19250822 |
| HeLa | IC50 | = | 8700.0 | nM | 5.06 | Antiproliferative activity against human HeLa cells after 48 hrs by Coulter coun... | 19250822 |
| HL-60 | IC50 | = | 10500.0 | nM | 4.98 | Cytotoxicity against human HL60 cells after 72 hrs by MTT assay | - |
| CCRF-CEM | IC50 | = | 14000.0 | nM | 4.85 | Antiproliferative activity against human CEM cells after 48 hrs by Coulter count... | 19250822 |
| L1210 | IC50 | = | 18000.0 | nM | 4.75 | Antiproliferative activity against mouse L1210 cells after 48 hrs by Coulter cou... | 19250822 |
| FM3A | IC50 | = | 35000.0 | nM | 4.46 | Antiproliferative activity against mouse FM3A cells after 48 hrs by Coulter coun... | 19250822 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22137931 | 10.1016/j.bmc.2011.11.012 | Rattus norvegicus | 6 |
| 19250822 | 10.1016/j.bmcl.2009.02.038 | L1210 | 1 |
| 19250822 | 10.1016/j.bmcl.2009.02.038 | FM3A | 1 |
| 19250822 | 10.1016/j.bmcl.2009.02.038 | MOLT-4 | 1 |
| 19250822 | 10.1016/j.bmcl.2009.02.038 | CCRF-CEM | 1 |
| 19250822 | 10.1016/j.bmcl.2009.02.038 | HeLa | 1 |
| 24780600 | 10.1016/j.ejmech.2014.04.018 | Cholinesterase | 1 |
| - | 10.1039/C4MD00371C | HCT-116 | 1 |
| - | 10.1039/C4MD00371C | HL-60 | 1 |
| - | 10.1039/C4MD00371C | OVCAR-8 | 1 |
| - | 10.1039/C4MD00371C | SF-295 | 1 |
| - | 10.1039/C4MD00371C | PBMC | 1 |
Data from ChEMBL 36 via Core Engine