Compound Detail
CHEMBL5203347
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Basic Information
| ChEMBL ID | CHEMBL5203347 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZCIBJAJRPYQVPL-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
435.4
MW (Da)
5.14
ALogP
3
HBA
2
HBD
59.6
PSA (Ų)
0.44
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Huh-7 CHEMBL614039 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| SK-HEP1 CHEMBL614912 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 7.05 | 7.05 | 90.0 | 1 |
| SMMC-7721 CHEMBL613831 | IC50 | 7.05 | 7.05 | 90.0 | 1 |
| HCCLM9 CHEMBL5209889 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
| L02 CHEMBL4296457 | IC50 | 6.11 | 6.11 | 780.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Huh-7 | IC50 | = | 40.0 | nM | 7.4 | Antiproliferative activity against human Huh-7 cells treated for 72 hrs by MTT a... | 35639640 |
| SK-HEP1 | IC50 | = | 70.0 | nM | 7.16 | Antiproliferative activity against human SK-HEP1 cells treated for 72 hrs by MTT... | 35639640 |
| HepG2 | IC50 | = | 90.0 | nM | 7.05 | Antiproliferative activity against human HepG2 cells treated for 72 hrs by MTT a... | 35639640 |
| SMMC-7721 | IC50 | = | 90.0 | nM | 7.05 | Antiproliferative activity against human SMMC-7721 cells treated for 72 hrs by M... | 35639640 |
| HCCLM9 | IC50 | = | 110.0 | nM | 6.96 | Antiproliferative activity against human HCCLM9 cells treated for 72 hrs by MTT ... | 35639640 |
| L02 | IC50 | = | 780.0 | nM | 6.11 | Antiproliferative activity against human L02 cells treated for 72 hrs by MTT ass... | 35639640 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35639640 | 10.1021/acs.jmedchem.2c00520 | Huh-7 | 35 |
| 35639640 | 10.1021/acs.jmedchem.2c00520 | SK-HEP1 | 33 |
| 35639640 | 10.1021/acs.jmedchem.2c00520 | Unchecked | 18 |
| 35639640 | 10.1021/acs.jmedchem.2c00520 | ADMET | 3 |
| 35639640 | 10.1021/acs.jmedchem.2c00520 | DNA topoisomerase 1 | 2 |
| 35639640 | 10.1021/acs.jmedchem.2c00520 | HepG2 | 1 |
| 35639640 | 10.1021/acs.jmedchem.2c00520 | HCCLM9 | 1 |
| 35639640 | 10.1021/acs.jmedchem.2c00520 | L02 | 1 |
| 35639640 | 10.1021/acs.jmedchem.2c00520 | DNA topoisomerase 2-alpha | 1 |
| 35639640 | 10.1021/acs.jmedchem.2c00520 | SMMC-7721 | 1 |
Data from ChEMBL 36 via Core Engine