Compound Detail
CHEMBL550349
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Basic Information
| ChEMBL ID | CHEMBL550349 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ASMMJYGJPIARBL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
315.3
MW (Da)
4.08
ALogP
3
HBA
1
HBD
51.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HL-60 CHEMBL383 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HL-60 | IC50 | = | 500.0 | nM | 6.3 | Cytotoxicity against human HL60 cells by MTT assay | 19719238 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19719238 | 10.1021/jm900456w | NON-PROTEIN TARGET | 2 |
| 19719238 | 10.1021/jm900456w | Unchecked | 1 |
| 19719238 | 10.1021/jm900456w | HL-60 | 1 |
| 19719238 | 10.1021/jm900456w | HCT-116 | 1 |
| 19719238 | 10.1021/jm900456w | A549 | 1 |
| 19719238 | 10.1021/jm900456w | KB | 1 |
| 19719238 | 10.1021/jm900456w | DU-145 | 1 |
Data from ChEMBL 36 via Core Engine