Compound Detail
CHEMBL2377840
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Basic Information
| ChEMBL ID | CHEMBL2377840 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FKVUXPCXYYHCAR-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
313.4
MW (Da)
3.84
ALogP
5
HBA
2
HBD
68.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK2/Cyclin A2 CHEMBL3038469 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.44 | 5.3733 | 3600.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK2/Cyclin A2 | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of human CDK2/Cyclin A2 using PKTPKKAKKL as substrate by PK/LDH spect... | 23600925 |
| NON-PROTEIN TARGET | IC50 | = | 3600.0 | nM | 5.44 | Cytotoxicity against mouse GC-1 cells after 72 hrs by MTT assay | 23600925 |
| NON-PROTEIN TARGET | IC50 | = | 4100.0 | nM | 5.39 | Cytotoxicity against mouse GC-2 cells after 72 hrs by MTT assay | 23600925 |
| NON-PROTEIN TARGET | IC50 | = | 5100.0 | nM | 5.29 | Cytotoxicity against mouse TM4 cells after 72 hrs by MTT assay | 23600925 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23600925 | 10.1021/jm301234k | NON-PROTEIN TARGET | 3 |
| 23600925 | 10.1021/jm301234k | MDA-MB-468 | 1 |
| 23600925 | 10.1021/jm301234k | CDK2/Cyclin A2 | 1 |
Data from ChEMBL 36 via Core Engine