Compound Detail
CHEMBL162350
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Basic Information
| ChEMBL ID | CHEMBL162350 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YFJQMNIZVXYKSD-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
212.7
MW (Da)
2.36
ALogP
1
HBA
2
HBD
41.1
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MDA-MB-231 CHEMBL400 | IC50 | 4.22 | 4.22 | 60000.0 | 1 |
| LoVo CHEMBL614721 | IC50 | 4.22 | 4.22 | 60000.0 | 1 |
| P388 CHEMBL389 | IC50 | 4.12 | 4.12 | 75000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| LoVo | IC50 | = | 60000.0 | nM | 4.22 | Dose to inhibit cell growth determined against LoVo cell line of human adenocarc... | 11262080 |
| MDA-MB-231 | IC50 | = | 60000.0 | nM | 4.22 | Dose required to inhibit cell growth was determined against MDA-MB-231 cell line... | 11262080 |
| P388 | IC50 | = | 75000.0 | nM | 4.12 | Dose required to inhibit cell growth was determined against P388D1 cell line of ... | 11262080 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11262080 | 10.1021/jm0010264 | LoVo | 1 |
| 11262080 | 10.1021/jm0010264 | MDA-MB-231 | 1 |
| 11262080 | 10.1021/jm0010264 | P388 | 1 |
| 11262080 | 10.1021/jm0010264 | CHO | 1 |
| 11262080 | 10.1021/jm0010264 | K562 | 1 |
| 11262080 | 10.1021/jm0010264 | L1210 | 1 |
| 11262080 | 10.1021/jm0010264 | HT-29 | 1 |
| 17498960 | 10.1016/j.bmc.2007.04.028 | HT-29 | 1 |
| 17498960 | 10.1016/j.bmc.2007.04.028 | M21 | 1 |
| 17498960 | 10.1016/j.bmc.2007.04.028 | MCF7 | 1 |
| 18023585 | 10.1016/j.bmc.2007.11.004 | MDA-MB-231 | 1 |
Data from ChEMBL 36 via Core Engine