Compound Detail
CHEMBL4532596
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Basic Information
| ChEMBL ID | CHEMBL4532596 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DLNOLRJXNFQUKA-FRJWGUMJSA-N |
12
Targets
15
Activities
2
Assay Types
0
PK Parameters
19
Publications
0
Known Names
Molecular Properties
338.8
MW (Da)
0.19
ALogP
8
HBA
3
HBD
105.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 13 meas. best 7.22
EC50 2 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 7.22 | 6.825 | 60.0 | 2 |
| CCRF-CEM CHEMBL382 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 6.82 | 6.795 | 150.0 | 2 |
| HepG2 CHEMBL395 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
| K562 CHEMBL385 | IC50 | 6.75 | 6.75 | 180.0 | 1 |
| HeLa S3 CHEMBL4296436 | IC50 | 6.24 | 6.24 | 570.0 | 1 |
| U2OS CHEMBL615023 | IC50 | 6.21 | 6.21 | 620.0 | 1 |
| BJ CHEMBL614358 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| A549 CHEMBL392 | IC50 | 5.52 | 5.52 | 2990.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.3 | 4.3 | 50000.0 | 2 |
| MRC5 CHEMBL614181 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine