Compound Detail
CHEMBL5178647
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COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2cc(F)ccc2N(c2ccc(Br)c(F)c2)C31
Basic Information
| ChEMBL ID | CHEMBL5178647 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IDIHHBFHQPNGBV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
510.3
MW (Da)
6.07
ALogP
3
HBA
1
HBD
48.6
PSA (Ų)
0.36
QED
2
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HepG2 CHEMBL395 | IC50 | 4.8 | 4.8 | 15890.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HepG2 | IC50 | = | 15890.0 | nM | 4.8 | Antiproliferative activity against human HepG2 cells treated for 72 hrs by MTT a... | 35639640 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35639640 | 10.1021/acs.jmedchem.2c00520 | HepG2 | 1 |
| 35639640 | 10.1021/acs.jmedchem.2c00520 | Huh-7 | 1 |
| 35639640 | 10.1021/acs.jmedchem.2c00520 | SK-HEP1 | 1 |
| 35639640 | 10.1021/acs.jmedchem.2c00520 | HCCLM9 | 1 |
| 35639640 | 10.1021/acs.jmedchem.2c00520 | L02 | 1 |
| 35639640 | 10.1021/acs.jmedchem.2c00520 | SMMC-7721 | 1 |
Data from ChEMBL 36 via Core Engine