Compound Detail
CHEMBL171228
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Basic Information
| ChEMBL ID | CHEMBL171228 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RVNVFOCQZAOSMS-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
421.5
MW (Da)
1.79
ALogP
6
HBA
2
HBD
90.0
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 4.8 | 4.8 | 16000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 16000.0 | nM | 4.8 | Dose level for 50% inhibition of L1210 cell growth was measured after 24 hr | 3351863 |
| L1210 | IC50 | = | 16000.0 | nM | 4.8 | Dose level for 50% inhibition of L1210 cell growth was measured after 48 hr | 3351863 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3351863 | 10.1021/jm00399a028 | CCRF S-180 | 8 |
| 3351863 | 10.1021/jm00399a028 | L1210 | 6 |
Data from ChEMBL 36 via Core Engine