Compound Detail
CHEMBL336275
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Basic Information
| ChEMBL ID | CHEMBL336275 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NNAIWQUKNVQJOT-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
402.2
MW (Da)
2.14
ALogP
7
HBA
3
HBD
86.2
PSA (Ų)
0.48
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.65 | 4.65 | 22500.0 | 1 |
| NCI-H69 CHEMBL614805 | IC50 | 4.37 | 4.37 | 42300.0 | 1 |
| PC-6 CHEMBL614235 | IC50 | 4.11 | 4.11 | 77600.0 | 1 |
| L1210 CHEMBL386 | IC50 | 4.08 | 4.08 | 83200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 22500.0 | nM | 4.65 | In vitro cytotoxicity against walker rat carcinoma 256 cell lines | 8277501 |
| NCI-H69 | IC50 | = | 42300.0 | nM | 4.37 | In vitro cytotoxicity against human small cell lung cancer H69 cell lines | 8277501 |
| PC-6 | IC50 | = | 77600.0 | nM | 4.11 | In vitro cytotoxicity against PC6 murine plasmacytoma cell lines | 8277501 |
| L1210 | IC50 | = | 83200.0 | nM | 4.08 | In vitro cytotoxicity against L1210 murine lymphocytic leukemia cell lines | 8277501 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8277501 | 10.1021/jm00078a008 | NON-PROTEIN TARGET | 1 |
| 8277501 | 10.1021/jm00078a008 | PC-6 | 1 |
| 8277501 | 10.1021/jm00078a008 | NCI-H69 | 1 |
| 8277501 | 10.1021/jm00078a008 | L1210 | 1 |
Data from ChEMBL 36 via Core Engine