Compound Detail
CHEMBL455122
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Basic Information
| ChEMBL ID | CHEMBL455122 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DKECTQZJNQHCKP-FMIVXFBMSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
315.2
MW (Da)
4.11
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.12 | 5.12 | 7630.0 | 1 |
| CCRF-CEM CHEMBL382 | IC50 | 4.94 | 4.94 | 11600.0 | 1 |
| L1210 CHEMBL386 | IC50 | 4.44 | 4.44 | 36300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 7630.0 | nM | 5.12 | Cytotoxicity against human Molt 4/C8 cells after 72 hrs | 17692998 |
| CCRF-CEM | IC50 | = | 11600.0 | nM | 4.94 | Cytotoxicity against human CEM cells after 72 hrs | 17692998 |
| L1210 | IC50 | = | 36300.0 | nM | 4.44 | Cytotoxicity against mouse L1210 cells after 48 hrs | 17692998 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17692998 | 10.1016/j.ejmech.2007.06.017 | ADMET | 3 |
| 17692998 | 10.1016/j.ejmech.2007.06.017 | NON-PROTEIN TARGET | 1 |
| 17692998 | 10.1016/j.ejmech.2007.06.017 | CCRF-CEM | 1 |
| 17692998 | 10.1016/j.ejmech.2007.06.017 | L1210 | 1 |
| 17692998 | 10.1016/j.ejmech.2007.06.017 | HSC-2 | 1 |
| 17692998 | 10.1016/j.ejmech.2007.06.017 | HSC-3 | 1 |
| 17692998 | 10.1016/j.ejmech.2007.06.017 | HSC-4 | 1 |
| 17692998 | 10.1016/j.ejmech.2007.06.017 | HL-60 | 1 |
| 17692998 | 10.1016/j.ejmech.2007.06.017 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine