Compound Detail
CHEMBL4288975
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C=C1C(=O)O[C@H]2[C@H]1CC/C(Cn1cc(-c3ccc(F)c(C)c3)nn1)=C\CC[C@@]1(C)O[C@@H]21
Basic Information
| ChEMBL ID | CHEMBL4288975 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UGWWFIXOPKSRDV-MGKIZBGCSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
423.5
MW (Da)
4.15
ALogP
6
HBA
0
HBD
69.5
PSA (Ų)
0.32
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.92 | 5.91 | 1200.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 1200.0 | nM | 5.92 | Antileukemic activity against human M9-ENL1 cells assessed as reduction in cell ... | 30121494 |
| Unchecked | EC50 | = | 1200.0 | nM | 5.92 | Antileukemic activity against human AML02 cells assessed as reduction in cell vi... | 30121494 |
| Unchecked | EC50 | = | 1300.0 | nM | 5.89 | Antileukemic activity against human AML01 cells assessed as reduction in cell vi... | 30121494 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30121494 | 10.1016/j.ejmech.2018.08.010 | Unchecked | 3 |
Data from ChEMBL 36 via Core Engine