Compound Detail
CHEMBL357876
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CCOC(=O)Nc1cc(CO)cc(Nc2c3cccc(OC)c3nc3c(C(=O)NCCN(C)C)cccc23)c1
Basic Information
| ChEMBL ID | CHEMBL357876 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VYTSCEFMWWBBCD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
531.6
MW (Da)
4.49
ALogP
8
HBA
4
HBD
125.0
PSA (Ų)
0.22
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HL-60 CHEMBL383 | IC50 | 8.01 | 8.01 | 9.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HL-60 | IC50 | = | 9.7 | nM | 8.01 | 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