Compound Detail
CHEMBL81361
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Basic Information
| ChEMBL ID | CHEMBL81361 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KGQJFMWBIDICOP-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
216.4
MW (Da)
-0.10
ALogP
4
HBA
4
HBD
62.1
PSA (Ų)
0.34
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.11
IC50 1 meas. best 5.6
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 2500.0 | nM | 5.6 | In vitro inhibition of L1210 growth after 96 hours. | 7932575 |
| L1210 | Ki | = | 7700.0 | nM | 5.11 | Inhibition of radiolabeled spermidine uptake into L1210 cells in vitro. | 7932575 |
| Unchecked | Ki | = | 7700.0 | nM | 5.11 | Binding affinity to the mouse polyamine transporter on the L1210 cell surface | 12801231 |
| L1210 | Ki | = | 7700.0 | nM | 5.11 | Ability to competitively inhibit uptake of radiolabeled spermidine in L1210 cell... | 8691443 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7932575 | 10.1021/jm00047a004 | L1210 | 11 |
| 12801231 | 10.1021/jm020598g | L1210 | 2 |
| 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 |
| 12801231 | 10.1021/jm020598g | NON-PROTEIN TARGET | 1 |
| 12801231 | 10.1021/jm020598g | Unchecked | 1 |
| 8691443 | 10.1021/jm950827h | L1210 | 1 |
Data from ChEMBL 36 via Core Engine