Compound Detail
CHEMBL73459
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Basic Information
| ChEMBL ID | CHEMBL73459 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GWFBXPJWEZJEJD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
270.4
MW (Da)
2.14
ALogP
4
HBA
2
HBD
49.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 4.1 | 4.1 | 80000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 80000.0 | nM | 4.1 | Inhibitory concentration against L1210 cells on 96 hr incubation. | 7608892 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7608892 | 10.1021/jm00013a003 | L1210 | 5 |
| 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