Compound Detail
CHEMBL2375897
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Basic Information
| ChEMBL ID | CHEMBL2375897 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BYZDFDLMJGGBQI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
427.5
MW (Da)
4.55
ALogP
7
HBA
2
HBD
98.3
PSA (Ų)
0.45
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| K562 CHEMBL385 | IC50 | 4.03 | 4.03 | 93070.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| K562 | IC50 | = | 93070.0 | nM | 4.03 | Antiproliferative activity against human K562 cells after 48 hrs by MTT assay | 23538233 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23538233 | 10.1016/j.bmc.2013.02.036 | Bcr/Abl fusion protein | 1 |
| 23538233 | 10.1016/j.bmc.2013.02.036 | K562 | 1 |
Data from ChEMBL 36 via Core Engine