Compound Detail
CHEMBL306559
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Basic Information
| ChEMBL ID | CHEMBL306559 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IDIBTSRQRROXNO-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
260.3
MW (Da)
0.79
ALogP
5
HBA
1
HBD
62.3
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.96
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NCI-H460 | IC50 | = | 110.0 | nM | 6.96 | Cytotoxicity was measured on non-small cell lung cancer(NSCLC) in H460 cell line... | 9822546 |
| A549 | IC50 | = | 800.0 | nM | 6.1 | Chemosensitivity against DT-diaphorase rich A549 cell lines | 10514277 |
| HT-29 | IC50 | = | 1380.0 | nM | 5.86 | Chemosensitivity against DT-diaphorase rich H29 cell lines | 10514277 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9240349 | 10.1021/jm9608422 | Mus musculus | 12 |
| 10514277 | 10.1021/jm991063z | NAD(P)H dehydrogenase [quinone] 1 | 3 |
| 10514277 | 10.1021/jm991063z | Unchecked | 3 |
| 9240349 | 10.1021/jm9608422 | V79 | 3 |
| 10514277 | 10.1021/jm991063z | A549 | 1 |
| 10514277 | 10.1021/jm991063z | HT-29 | 1 |
| 10514277 | 10.1021/jm991063z | BE | 1 |
| 10514277 | 10.1021/jm991063z | NON-PROTEIN TARGET | 1 |
| 9822546 | 10.1021/jm980328r | NAD(P)H dehydrogenase [quinone] 1 | 1 |
| 9822546 | 10.1021/jm980328r | NCI-H460 | 1 |
| 9822546 | 10.1021/jm980328r | NCI-H596 | 1 |
| 9822546 | 10.1021/jm980328r | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine