Compound Detail
CHEMBL271171
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Basic Information
| ChEMBL ID | CHEMBL271171 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QAPKTFCUIZZQKX-UHFFFAOYSA-N |
4
Targets
8
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
356.4
MW (Da)
3.02
ALogP
6
HBA
2
HBD
95.8
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CCRF-CEM CHEMBL382 | IC50 | 6.5 | 6.5 | 320.0 | 2 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.2 | 6.2 | 630.0 | 2 |
| L1210 CHEMBL386 | IC50 | 6.01 | 6.01 | 970.0 | 2 |
| FM3A CHEMBL614297 | IC50 | 5.8 | 5.8 | 1600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CCRF-CEM | IC50 | = | 320.0 | nM | 6.5 | Antiproliferative activity against human CEM cells | 18260616 |
| CCRF-CEM | IC50 | = | 320.0 | nM | 6.5 | Antiproliferative activity against human CEM cells after 2 days | 18755591 |
| NON-PROTEIN TARGET | IC50 | = | 630.0 | nM | 6.2 | Antiproliferative activity against human Molt4/C8 cells | 18260616 |
| NON-PROTEIN TARGET | IC50 | = | 630.0 | nM | 6.2 | Antiproliferative activity against human Molt4/C8 cells after 2 days | 18755591 |
| L1210 | IC50 | = | 970.0 | nM | 6.01 | Antiproliferative activity against mouse L1210 cells | 18260616 |
| L1210 | IC50 | = | 970.0 | nM | 6.01 | Antiproliferative activity against mouse L1210 cells after 2 days | 18755591 |
| FM3A | IC50 | = | 1600.0 | nM | 5.8 | Antiproliferative activity against mouse FM3A cells | 18260616 |
| FM3A | IC50 | = | 1600.0 | nM | 5.8 | Antiproliferative activity against mouse FM3A cells after 2 days | 18755591 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18260616 | 10.1021/jm7011547 | K562 | 5 |
| 18260616 | 10.1021/jm7011547 | Unchecked | 2 |
| 18755591 | 10.1016/j.bmc.2008.08.029 | Unchecked | 2 |
| 18260616 | 10.1021/jm7011547 | L1210 | 1 |
| 18260616 | 10.1021/jm7011547 | NON-PROTEIN TARGET | 1 |
| 18260616 | 10.1021/jm7011547 | CCRF-CEM | 1 |
| 18260616 | 10.1021/jm7011547 | FM3A | 1 |
| 18755591 | 10.1016/j.bmc.2008.08.029 | L1210 | 1 |
| 18755591 | 10.1016/j.bmc.2008.08.029 | FM3A | 1 |
| 18755591 | 10.1016/j.bmc.2008.08.029 | NON-PROTEIN TARGET | 1 |
| 18755591 | 10.1016/j.bmc.2008.08.029 | CCRF-CEM | 1 |
Data from ChEMBL 36 via Core Engine