Compound Detail
CHEMBL4591383
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Basic Information
| ChEMBL ID | CHEMBL4591383 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SWQLIPCORWXTQV-AKAIJSEGSA-N |
13
Targets
16
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
337.4
MW (Da)
0.51
ALogP
9
HBA
3
HBD
113.8
PSA (Ų)
0.47
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 14 meas. best 6.85
EC50 2 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CCRF-CEM CHEMBL382 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
| OCI-AML2 CHEMBL2366220 | IC50 | 6.72 | 6.72 | 190.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 6.68 | 6.67 | 210.0 | 2 |
| Hepatitis C virus CHEMBL379 | EC50 | 6.62 | 6.585 | 240.0 | 2 |
| K562 CHEMBL385 | IC50 | 6.57 | 6.57 | 270.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 6.54 | 6.54 | 290.0 | 1 |
| U2OS CHEMBL615023 | IC50 | 6.47 | 6.47 | 340.0 | 1 |
| BJ CHEMBL614358 | IC50 | 6.31 | 6.31 | 490.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 5.7 | 5.7 | 2010.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.57 | 5.41 | 2700.0 | 2 |
| HeLa S3 CHEMBL4296436 | IC50 | 5.53 | 5.53 | 2960.0 | 1 |
| A549 CHEMBL392 | IC50 | 5.31 | 5.31 | 4860.0 | 1 |
| MRC5 CHEMBL614181 | IC50 | 5.03 | 5.03 | 9370.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine