Compound Detail
CHEMBL4649004
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Basic Information
| ChEMBL ID | CHEMBL4649004 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CQFOLVPHJKYDJA-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
285.3
MW (Da)
-0.25
ALogP
8
HBA
1
HBD
102.9
PSA (Ų)
0.66
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific demethylase 4C CHEMBL6175 | IC50 | 6.62 | 6.62 | 242.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| A549 CHEMBL392 | IC50 | 5.24 | 5.24 | 5800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific demethylase 4C | IC50 | = | 242.0 | nM | 6.62 | Inhibition of KDM4C (unknown origin) using methylated H3 peptide as substrate by... | 31784197 |
| HepG2 | IC50 | = | 1100.0 | nM | 5.96 | Antiproliferative activity against human HepG2 cells assessed as reduction in ce... | 31784197 |
| A549 | IC50 | = | 5800.0 | nM | 5.24 | Antiproliferative activity against human A549 cells assessed as reduction in cel... | 31784197 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31784197 | 10.1016/j.bmc.2019.115128 | ADMET | 3 |
| 31784197 | 10.1016/j.bmc.2019.115128 | Lysine-specific demethylase 4C | 1 |
| 31784197 | 10.1016/j.bmc.2019.115128 | HepG2 | 1 |
| 31784197 | 10.1016/j.bmc.2019.115128 | A549 | 1 |
| 31784197 | 10.1016/j.bmc.2019.115128 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine