Compound Detail
CHEMBL597611
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Basic Information
| ChEMBL ID | CHEMBL597611 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OFKBXUGLDYFQKH-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
427.4
MW (Da)
1.72
ALogP
7
HBA
4
HBD
151.1
PSA (Ų)
0.39
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BE CHEMBL614798 | IC50 | 5.96 | 5.96 | 1100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BE | IC50 | = | 1100.0 | nM | 5.96 | Cytotoxicity against human BE cells expressing human NQO1 after 3 to 5 days by M... | 20149966 |
| BE | IC50 | = | 1100.0 | nM | 5.96 | Cytotoxicity against NQO1 deficient human BE cells after 3 to 5 days by MTT assa... | 20149966 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20149966 | 10.1016/j.bmc.2010.01.037 | BE | 3 |
| 20149966 | 10.1016/j.bmc.2010.01.037 | NAD(P)H dehydrogenase [quinone] 1 | 1 |
Data from ChEMBL 36 via Core Engine