Compound Detail
CHEMBL194002
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CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCC[N+](C)(C)C
Basic Information
| ChEMBL ID | CHEMBL194002 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QSWLSMPKQMPNKQ-UHFFFAOYSA-O |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
603.8
MW (Da)
1.67
ALogP
8
HBA
5
HBD
179.8
PSA (Ų)
0.05
QED
1
Ro5 Violations
24
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 5.22 | 5.19 | 6000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 6000.0 | nM | 5.22 | Inhibitory concentration against growth of murine L1210 cells at 96 hours | 15943485 |
| L1210 | IC50 | = | 7000.0 | nM | 5.16 | Inhibitory concentration against growth of murine L1210 cells at 48 hours | 15943485 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15943485 | 10.1021/jm048974f | L1210 | 4 |
Data from ChEMBL 36 via Core Engine