Compound Detail
CHEMBL402160
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Basic Information
| ChEMBL ID | CHEMBL402160 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MRXWTAKYSNODFK-DLVXIWMQSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
407.5
MW (Da)
0.88
ALogP
9
HBA
3
HBD
116.8
PSA (Ų)
0.50
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.36
EC50 1 meas. best 5.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 5.36 | 5.36 | 4400.0 | 1 |
| CCRF-CEM CHEMBL382 | IC50 | 5.34 | 5.265 | 4590.0 | 2 |
| HL-60 CHEMBL383 | IC50 | 5.28 | 5.07 | 5300.0 | 2 |
| Hepatitis C virus CHEMBL379 | EC50 | 5.25 | 5.25 | 5600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 4400.0 | nM | 5.36 | Cytostatic activity against mouse L1210 cells ATCC CCL219 assessed as growth red... | 17997319 |
| CCRF-CEM | IC50 | = | 4590.0 | nM | 5.34 | Cytostatic activity against human CCRF-CEM cells ATCC CCL 119 assessed as cell v... | 17997319 |
| HL-60 | IC50 | = | 5300.0 | nM | 5.28 | Cytostatic activity against human HL60 cells ATCC CCL 240 assessed as growth red... | 17997319 |
| Hepatitis C virus | EC50 | = | 5600.0 | nM | 5.25 | Antiviral activity against HCV 1b Con1 replicon in Huh7 cells | 17997319 |
| CCRF-CEM | IC50 | = | 6400.0 | nM | 5.19 | Cytostatic activity against human CCRF-CEM cells ATCC CCL 119 assessed as growth... | 17997319 |
| HL-60 | IC50 | = | 13800.0 | nM | 4.86 | Cytostatic activity against human HL60 cells ATCC CCL 240 assessed as cell viabi... | 17997319 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17997319 | 10.1016/j.bmc.2007.10.063 | HL-60 | 8 |
| 17997319 | 10.1016/j.bmc.2007.10.063 | CCRF-CEM | 2 |
| 17997319 | 10.1016/j.bmc.2007.10.063 | Hepatitis C virus | 1 |
| 17997319 | 10.1016/j.bmc.2007.10.063 | L1210 | 1 |
| 17997319 | 10.1016/j.bmc.2007.10.063 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine