Compound Detail
CHEMBL4447775
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Basic Information
| ChEMBL ID | CHEMBL4447775 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WQNNJYMNIVAWCW-HTVVRFAVSA-N |
8
Targets
9
Activities
2
Assay Types
0
PK Parameters
19
Publications
0
Known Names
Molecular Properties
306.3
MW (Da)
-0.63
ALogP
9
HBA
4
HBD
139.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.29
EC50 2 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 6.52 | 6.5 | 300.0 | 2 |
| HL-60 CHEMBL383 | IC50 | 6.29 | 6.29 | 510.0 | 1 |
| HeLa S3 CHEMBL4296436 | IC50 | 5.77 | 5.77 | 1710.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 5.35 | 5.35 | 4510.0 | 1 |
| K562 CHEMBL385 | IC50 | 5.22 | 5.22 | 6040.0 | 1 |
| U2OS CHEMBL615023 | IC50 | 5.15 | 5.15 | 7090.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 4.32 | 4.32 | 48420.0 | 1 |
| Unchecked CHEMBL612545 | 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