Compound Detail
CHEMBL5175845
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
Cc1c(CNc2ccc(C3CCN(C(=O)/C=C/c4cccnc4)CC3)cc2)oc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C
Basic Information
| ChEMBL ID | CHEMBL5175845 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MUJBYZCBDYRVKN-OVCLIPMQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
613.8
MW (Da)
7.67
ALogP
6
HBA
1
HBD
92.5
PSA (Ų)
0.18
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A549 CHEMBL392 | IC50 | 4.76 | 4.76 | 17390.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A549 | IC50 | = | 17390.0 | nM | 4.76 | Antiproliferative activity against human A549 cells assessed as inhibition of ce... | 35640078 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35640078 | 10.1021/acs.jmedchem.2c00077 | A549 | 1 |
Data from ChEMBL 36 via Core Engine