Compound Detail
CHEMBL4083989
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
CC1=C(CC(=O)N2CCN(c3ccncc3)CC2)c2cc(F)ccc2/C1=C\c1nc2ccccc2s1
Basic Information
| ChEMBL ID | CHEMBL4083989 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FPTKJNLHXJHQDW-QJOMJCCJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
496.6
MW (Da)
5.90
ALogP
5
HBA
0
HBD
49.3
PSA (Ų)
0.35
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 4.14 | 4.14 | 72000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 72000.0 | nM | 4.14 | Growth inhibition of mouse CPC300 cells after 72 hrs by CellTiter-Glo reagent ba... | 28935266 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28935266 | 10.1016/j.bmcl.2017.09.022 | Unchecked | 2 |
| 28935266 | 10.1016/j.bmcl.2017.09.022 | PC-3 | 1 |
| 28935266 | 10.1016/j.bmcl.2017.09.022 | HT-29 | 1 |
| 28935266 | 10.1016/j.bmcl.2017.09.022 | MDA-MB-231 | 1 |
| 28935266 | 10.1016/j.bmcl.2017.09.022 | Raji | 1 |
| 28935266 | 10.1016/j.bmcl.2017.09.022 | Jurkat E6.1 | 1 |
| 28935266 | 10.1016/j.bmcl.2017.09.022 | REH | 1 |
| 28935266 | 10.1016/j.bmcl.2017.09.022 | 697 | 1 |
| 28935266 | 10.1016/j.bmcl.2017.09.022 | BJ | 1 |
Data from ChEMBL 36 via Core Engine