Compound Detail
CHEMBL565033
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Basic Information
| ChEMBL ID | CHEMBL565033 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LXKAYWZVBXYTGU-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
325.4
MW (Da)
3.71
ALogP
6
HBA
2
HBD
77.2
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MOLT-4 CHEMBL614177 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
| HeLa CHEMBL399 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
| CCRF-CEM CHEMBL382 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
| CDK2/Cyclin A2 CHEMBL3038469 | IC50 | 5.51 | 5.51 | 3100.0 | 1 |
| FM3A CHEMBL614297 | IC50 | 5.21 | 5.21 | 6200.0 | 1 |
| L1210 CHEMBL386 | IC50 | 5.12 | 5.12 | 7600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MOLT-4 | IC50 | = | 1300.0 | nM | 5.89 | Antiproliferative activity against human MOLT4 cells after 2 days by coulter cou... | 19663386 |
| HeLa | IC50 | = | 1700.0 | nM | 5.77 | Antiproliferative activity against human HeLa cells after 2 days by coulter coun... | 19663386 |
| CCRF-CEM | IC50 | = | 2300.0 | nM | 5.64 | Antiproliferative activity against human CEM cells after 2 days by coulter count... | 19663386 |
| CDK2/Cyclin A2 | IC50 | = | 3100.0 | nM | 5.51 | Inhibition of human CDK2/Cyclin A2 using PKTPKKAKKL as substrate by PK/LDH spect... | 23600925 |
| FM3A | IC50 | = | 6200.0 | nM | 5.21 | Antiproliferative activity against mouse FM3A cells after 2 days by coulter coun... | 19663386 |
| L1210 | IC50 | = | 7600.0 | nM | 5.12 | Antiproliferative activity against mouse L1210 cells after 2 days by coulter cou... | 19663386 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19663386 | 10.1021/jm9001692 | L1210 | 1 |
| 19663386 | 10.1021/jm9001692 | FM3A | 1 |
| 19663386 | 10.1021/jm9001692 | MOLT-4 | 1 |
| 19663386 | 10.1021/jm9001692 | CCRF-CEM | 1 |
| 19663386 | 10.1021/jm9001692 | HeLa | 1 |
| 23600925 | 10.1021/jm301234k | CDK2/Cyclin A2 | 1 |
Data from ChEMBL 36 via Core Engine