Compound Detail
CHEMBL1765796
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Basic Information
| ChEMBL ID | CHEMBL1765796 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QQVHGUFLVAECFU-GZTJUZNOSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
270.4
MW (Da)
2.08
ALogP
3
HBA
2
HBD
49.3
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PC-3 CHEMBL390 | IC50 | 6.01 | 6.01 | 970.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.54 | 5.54 | 2870.0 | 1 |
| GES1 CHEMBL4296415 | IC50 | 5.51 | 5.51 | 3120.0 | 1 |
| MGC-803 CHEMBL3706566 | IC50 | 5.23 | 5.135 | 5942.0 | 2 |
| ECa-109 cell line CHEMBL614668 | IC50 | 5.15 | 5.15 | 7150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PC-3 | IC50 | = | 970.0 | nM | 6.01 | Antiproliferative activity against human PC3 cells assessed as reduction in cell... | 31614257 |
| Unchecked | IC50 | = | 2870.0 | nM | 5.54 | Antiproliferative activity against human WPMY-1 cells assessed as reduction in c... | 31614257 |
| GES1 | IC50 | = | 3120.0 | nM | 5.51 | Antiproliferative activity against human GES-1 cells assessed as reduction in ce... | 31614257 |
| MGC-803 | IC50 | = | 5942.0 | nM | 5.23 | Antiproliferative activity against human MGC-803 cells assessed as reduction in ... | 32438199 |
| ECa-109 cell line | IC50 | = | 7150.0 | nM | 5.15 | Antiproliferative activity against human EC109 cells assessed as reduction in ce... | 31614257 |
| MGC-803 | IC50 | = | 9140.0 | nM | 5.04 | Antiproliferative activity against human MGC803 cells assessed as reduction in c... | 31614257 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31614257 | 10.1016/j.ejmech.2019.111764 | Unchecked | 3 |
| 21391686 | 10.1021/jm101532u | DNA topoisomerase 2-alpha | 2 |
| 21391686 | 10.1021/jm101532u | SK-BR-3 | 1 |
| 31614257 | 10.1016/j.ejmech.2019.111764 | GES1 | 1 |
| 31614257 | 10.1016/j.ejmech.2019.111764 | ECa-109 cell line | 1 |
| 31614257 | 10.1016/j.ejmech.2019.111764 | MGC-803 | 1 |
| 31614257 | 10.1016/j.ejmech.2019.111764 | PC-3 | 1 |
| 32438199 | 10.1016/j.ejmech.2020.112349 | MGC-803 | 1 |
Data from ChEMBL 36 via Core Engine