Compound Detail
CHEMBL4585910
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Basic Information
| ChEMBL ID | CHEMBL4585910 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FFRYCGOSSQOBHH-IDTAVKCVSA-N |
12
Targets
14
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
305.3
MW (Da)
0.10
ALogP
8
HBA
3
HBD
113.8
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 12 meas. best 6.62
EC50 2 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 6.62 | 6.585 | 240.0 | 2 |
| CCRF-CEM CHEMBL382 | IC50 | 6.62 | 6.62 | 240.0 | 1 |
| OCI-AML2 CHEMBL2366220 | IC50 | 6.47 | 6.47 | 340.0 | 1 |
| K562 CHEMBL385 | IC50 | 6.39 | 6.39 | 410.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 6.35 | 6.35 | 450.0 | 2 |
| U2OS CHEMBL615023 | IC50 | 6.24 | 6.24 | 570.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 5.67 | 5.67 | 2120.0 | 1 |
| HeLa S3 CHEMBL4296436 | IC50 | 5.66 | 5.66 | 2210.0 | 1 |
| A549 CHEMBL392 | IC50 | 5.5 | 5.5 | 3190.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.16 | 5.16 | 6930.0 | 1 |
| BJ CHEMBL614358 | IC50 | 5.11 | 5.11 | 7730.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine