Compound Detail
CHEMBL4799945
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
Basic Information
| ChEMBL ID | CHEMBL4799945 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YPSLVDTZTHAKFX-XBXARRHUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
436.5
MW (Da)
4.44
ALogP
8
HBA
2
HBD
94.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A549 CHEMBL392 | IC50 | 4.43 | 4.43 | 36810.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A549 | IC50 | = | 36810.0 | nM | 4.43 | Antiproliferation activity against human A549 cells assessed as reduction in cel... | 32912435 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32912435 | 10.1016/j.bmc.2020.115669 | A549 | 1 |
| 32912435 | 10.1016/j.bmc.2020.115669 | NCI-H1975 | 1 |
| 32912435 | 10.1016/j.bmc.2020.115669 | HeLa | 1 |
| 32912435 | 10.1016/j.bmc.2020.115669 | MCF7 | 1 |
| 32912435 | 10.1016/j.bmc.2020.115669 | L02 | 1 |
| 32912435 | 10.1016/j.bmc.2020.115669 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine