Compound Detail
CHEMBL4851384
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Basic Information
| ChEMBL ID | CHEMBL4851384 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GZFXKIFYJYKOKV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
394.4
MW (Da)
3.50
ALogP
7
HBA
3
HBD
105.6
PSA (Ų)
0.43
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MOLM-13 CHEMBL3706572 | IC50 | 7.89 | 7.89 | 12.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MOLM-13 | IC50 | = | 12.9 | nM | 7.89 | Antiproliferative activity against human MOLM-13 cells incubated for 72 hrs by M... | 34648295 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34648295 | 10.1021/acs.jmedchem.1c01451 | HCT-116 | 1 |
| 34648295 | 10.1021/acs.jmedchem.1c01451 | A2780S | 1 |
| 34648295 | 10.1021/acs.jmedchem.1c01451 | MOLM-13 | 1 |
Data from ChEMBL 36 via Core Engine