Compound Detail
CHEMBL344951
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Basic Information
| ChEMBL ID | CHEMBL344951 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AIICYPPNNOFIRK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
444.5
MW (Da)
4.55
ALogP
6
HBA
4
HBD
112.6
PSA (Ų)
0.32
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HL-60 CHEMBL383 | IC50 | 7.06 | 7.06 | 88.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HL-60 | IC50 | = | 88.0 | nM | 7.06 | In vitro inhibition of human leukemic HL-60 cell growth in culture | 10579838 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10579838 | 10.1021/jm9901226 | HL-60 | 1 |
Data from ChEMBL 36 via Core Engine