Compound Detail
CHEMBL289214
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
CC(=O)Nc1ccc2oc(C(=O)Nc3ccc4[nH]c(C(=O)N5CC6CC67C5=CC(=O)c5ccccc57)cc4c3)cc2c1
Basic Information
| ChEMBL ID | CHEMBL289214 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NCGHJJCOYZGRKD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
556.6
MW (Da)
5.62
ALogP
5
HBA
3
HBD
124.5
PSA (Ų)
0.27
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 9.7 | 9.7 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 0.2 | nM | 9.7 | Minimal drug concentration necessary to inhibit incorporation of [3H]thymidine i... | 10780911 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10780911 | 10.1021/jm990514c | L1210 | 7 |
| 10780911 | 10.1021/jm990514c | Mus musculus | 4 |
| 10780911 | 10.1021/jm990514c | Unchecked | 3 |
| 10780911 | 10.1021/jm990514c | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine