Compound Detail
CHEMBL83336
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Basic Information
| ChEMBL ID | CHEMBL83336 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QRNOIWMNQISSJC-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
272.5
MW (Da)
1.34
ALogP
4
HBA
4
HBD
48.1
PSA (Ų)
0.32
QED
0
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.75
Ki 2 meas. best 5.4
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 180.0 | nM | 6.75 | In vitro inhibition of L1210 growth after 96 hours. | 7932575 |
| L1210 | IC50 | = | 1000.0 | nM | 6.0 | In vitro inhibition of L1210 growth after 48 hours. | 7932575 |
| L1210 | Ki | = | 4000.0 | nM | 5.4 | Inhibition of radiolabeled spermidine uptake into L1210 cells in vitro. | 7932575 |
| L1210 | Ki | = | 4000.0 | nM | 5.4 | In vitro inhibition of uptake [3H]-spermidine in L1210 (murine leukemia) cells. | 8691443 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7932575 | 10.1021/jm00047a004 | L1210 | 11 |
| 7932575 | 10.1021/jm00047a004 | Ornithine decarboxylase | 1 |
| 7932575 | 10.1021/jm00047a004 | S-adenosylmethionine decarboxylase proenzyme 1 | 1 |
| 7932575 | 10.1021/jm00047a004 | Spermidine/spermine N(1)-acetyltransferase (SAT) | 1 |
| 8691443 | 10.1021/jm950827h | L1210 | 1 |
Data from ChEMBL 36 via Core Engine