Compound Detail
CHEMBL221631
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Basic Information
| ChEMBL ID | CHEMBL221631 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ONVBHTYYVYXDIS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
276.3
MW (Da)
3.48
ALogP
3
HBA
0
HBD
43.4
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HL-60 CHEMBL383 | IC50 | 5.58 | 5.58 | 2650.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HL-60 | IC50 | = | 2650.0 | nM | 5.58 | Cytotoxicity against human promyelocytic leukemia HL60 cell line by MTT assay | 17249647 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C0MD00074D | Candida albicans | 3 |
| - | 10.1039/C0MD00074D | Candida tropicalis | 2 |
| - | 10.1039/C0MD00074D | Kluyveromyces marxianus | 2 |
| - | 10.1039/C0MD00074D | Candida parapsilosis | 2 |
| - | 10.1039/C0MD00074D | Pichia kudriavzevii | 2 |
| - | 10.1039/C0MD00074D | Candida dubliniensis | 2 |
| - | 10.1039/C0MD00074D | ADMET | 2 |
| 17249647 | 10.1021/jm060849b | HL-60 | 1 |
| 17249647 | 10.1021/jm060849b | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine