Compound Detail
CHEMBL3330972
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COc1ccc(C(=O)NC(=O)Nc2ccc3c(c2)NC(=O)/C3=C/c2cccc(C(=O)O)c2)cc1
Basic Information
| ChEMBL ID | CHEMBL3330972 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HQYRWCZPDMSTSN-UDWIEESQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
457.4
MW (Da)
3.85
ALogP
5
HBA
4
HBD
133.8
PSA (Ų)
0.43
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MOLM-13 CHEMBL3706572 | IC50 | 6.54 | 6.54 | 290.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MOLM-13 | IC50 | = | 290.8 | nM | 6.54 | Cytotoxicity against human MOLM13 cells assessed as cell viability after 48 hrs ... | 25089810 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25089810 | 10.1016/j.ejmech.2014.07.108 | MOLM-13 | 2 |
| 25089810 | 10.1016/j.ejmech.2014.07.108 | MV4-11 | 2 |
| 25089810 | 10.1016/j.ejmech.2014.07.108 | THP-1 | 2 |
| 25089810 | 10.1016/j.ejmech.2014.07.108 | NON-PROTEIN TARGET | 2 |
| 25089810 | 10.1016/j.ejmech.2014.07.108 | Aurora kinase B | 1 |
| 25089810 | 10.1016/j.ejmech.2014.07.108 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
Data from ChEMBL 36 via Core Engine