Compound Detail
CHEMBL72019
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL72019 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YOOXGRHFTLYNJE-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
282.5
MW (Da)
0.95
ALogP
4
HBA
4
HBD
48.1
PSA (Ų)
0.48
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.31
IC50 1 meas. best 7.0
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 100.0 | nM | 7.0 | Inhibitory concentration against L1210 cells on 96 hr incubation. | 7608892 |
| L1210 | Ki | = | 4900.0 | nM | 5.31 | Concentration inhibiting radiolabeled spermidine transport in L1210 cells. | 7608892 |
| L1210 | Ki | = | 4900.0 | nM | 5.31 | In vitro inhibition of uptake [3H]-spermidine in L1210 (murine leukemia) cells. | 8691443 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7608892 | 10.1021/jm00013a003 | L1210 | 6 |
| 7608892 | 10.1021/jm00013a003 | No relevant target | 4 |
| 8978854 | 10.1021/jm960545x | ADMET | 4 |
| 7608892 | 10.1021/jm00013a003 | Ornithine decarboxylase | 1 |
| 7608892 | 10.1021/jm00013a003 | Unchecked | 1 |
| 7608892 | 10.1021/jm00013a003 | Spermidine/spermine N(1)-acetyltransferase (SAT) | 1 |
| 8691443 | 10.1021/jm950827h | L1210 | 1 |
Data from ChEMBL 36 via Core Engine