Compound Detail
CHEMBL4467186
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Basic Information
| ChEMBL ID | CHEMBL4467186 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FFIKXEFPABQZHN-QGMIFYJMSA-N |
11
Targets
13
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
318.3
MW (Da)
-0.16
ALogP
8
HBA
3
HBD
105.6
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 11 meas. best 6.68
EC50 2 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 6.92 | 6.82 | 120.0 | 2 |
| CCRF-CEM CHEMBL382 | IC50 | 6.68 | 6.68 | 210.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 6.48 | 6.48 | 330.0 | 2 |
| K562 CHEMBL385 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| U2OS CHEMBL615023 | IC50 | 6.21 | 6.21 | 610.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 5.95 | 5.95 | 1130.0 | 1 |
| HeLa S3 CHEMBL4296436 | IC50 | 5.92 | 5.92 | 1190.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 5.82 | 5.82 | 1510.0 | 1 |
| A549 CHEMBL392 | IC50 | 5.68 | 5.68 | 2080.0 | 1 |
| BJ CHEMBL614358 | IC50 | 5.41 | 5.41 | 3910.0 | 1 |
| 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