Compound Detail
CHEMBL2048739
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
CCN1CCN(Cc2ccc(NC(=O)c3ccc(-c4ccc5c(NC(=O)C6CC6)n[nH]c5c4)s3)cc2C(F)(F)F)CC1
Basic Information
| ChEMBL ID | CHEMBL2048739 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ANJQPHRFJOPIDE-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
596.7
MW (Da)
6.05
ALogP
6
HBA
3
HBD
93.4
PSA (Ų)
0.23
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 7.46
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MOLT-3 | EC50 | = | 35.0 | nM | 7.46 | Antiproliferative activity against human MOLT3 cells expressing FLT3 gene | 22727638 |
| BaF3 | EC50 | = | 927.0 | nM | 6.03 | Antiproliferative activity against mouse BAF3 cells expressing PDGFRalpha T674M ... | 22727638 |
| BaF3 | EC50 | = | 1094.0 | nM | 5.96 | Antiproliferative activity against mouse BAF3 cells expressing Kit T607I mutant ... | 22727638 |
| BaF3 | EC50 | = | 2000.0 | nM | 5.7 | Antiproliferative activity against wild type mouse BAF3 cells | 22727638 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22727638 | 10.1016/j.bmcl.2012.05.107 | BaF3 | 3 |
| 22727638 | 10.1016/j.bmcl.2012.05.107 | MOLT-3 | 1 |
Data from ChEMBL 36 via Core Engine