Compound Detail
CHEMBL453987
CHROMANONE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL453987 |
| Name | CHROMANONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MSTDXOZUKAQDRL-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
148.2
MW (Da)
1.65
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.56
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.09 | 4.6933 | 8200.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 8200.0 | nM | 5.09 | Cytotoxicity against human NALM6 cells by MTT assay | 25091929 |
| NON-PROTEIN TARGET | IC50 | = | 19100.0 | nM | 4.72 | Cytotoxicity against human HL60 cells by MTT assay | 25091929 |
| NON-PROTEIN TARGET | IC50 | = | 53200.0 | nM | 4.27 | Cytotoxicity against human WM115 cells by MTT assay | 25091929 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25091929 | 10.1016/j.bmcl.2014.07.027 | NON-PROTEIN TARGET | 3 |
| 12762809 | 10.1021/np020563j | Dermatophagoides pteronyssinus | 1 |
| 23756061 | 10.1016/j.bmcl.2013.05.044 | WM-115 | 1 |
| 23756061 | 10.1016/j.bmcl.2013.05.044 | HL-60 | 1 |
| 23756061 | 10.1016/j.bmcl.2013.05.044 | NALM-6 | 1 |
Data from ChEMBL 36 via Core Engine