Compound Detail
CHEMBL2377822
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Basic Information
| ChEMBL ID | CHEMBL2377822 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UNSUKTMPEHFJHC-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
419.4
MW (Da)
2.26
ALogP
9
HBA
3
HBD
171.3
PSA (Ų)
0.31
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK2/Cyclin A2 CHEMBL3038469 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.4 | 4.92 | 4000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK2/Cyclin A2 | IC50 | = | 70.0 | nM | 7.16 | Inhibition of human CDK2/Cyclin A2 using PKTPKKAKKL as substrate by fluorescence... | 23600925 |
| NON-PROTEIN TARGET | IC50 | = | 4000.0 | nM | 5.4 | Cytotoxicity against mouse TM4 cells after 72 hrs by MTT assay | 23600925 |
| NON-PROTEIN TARGET | IC50 | = | 20000.0 | nM | 4.7 | Cytotoxicity against mouse GC-2 cells after 72 hrs by MTT assay | 23600925 |
| NON-PROTEIN TARGET | IC50 | = | 22000.0 | nM | 4.66 | Cytotoxicity against mouse GC-1 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