Compound Detail
CHEMBL94076
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Basic Information
| ChEMBL ID | CHEMBL94076 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DDGLSHDTSHVXKM-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
357.3
MW (Da)
2.74
ALogP
6
HBA
0
HBD
74.6
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.52 | 5.545 | 300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 300.0 | nM | 6.52 | In vitro cytotoxicity against hypoxic V79-379A cells determined by MTT assay in ... | 9667963 |
| NON-PROTEIN TARGET | IC50 | = | 27000.0 | nM | 4.57 | In vitro cytotoxicity against hypoxic V79-379A cells determined by MTT assay in ... | 9667963 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9667963 | 10.1021/jm970744w | NON-PROTEIN TARGET | 2 |
| 10514277 | 10.1021/jm991063z | NAD(P)H dehydrogenase [quinone] 1 | 1 |
Data from ChEMBL 36 via Core Engine