Compound Detail
CHEMBL429712
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 | CHEMBL429712 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PUEYQRUPNCJAHW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
529.5
MW (Da)
5.22
ALogP
8
HBA
2
HBD
85.7
PSA (Ų)
0.37
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.44 | 6.44 | 360.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 360.0 | nM | 6.44 | Inhibition of human cSrc-vSrc fusion protein expressed in rat fibroblast cells b... | 17905586 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17905586 | 10.1016/j.bmc.2007.09.028 | Plasma | 4 |
| 17905586 | 10.1016/j.bmc.2007.09.028 | Unchecked | 1 |
| 17905586 | 10.1016/j.bmc.2007.09.028 | ADMET | 1 |
| 17905586 | 10.1016/j.bmc.2007.09.028 | No relevant target | 1 |
| 17905586 | 10.1016/j.bmc.2007.09.028 | Cytochrome P450 3A4 | 1 |
| 17905586 | 10.1016/j.bmc.2007.09.028 | Cytochrome P450 2D6 | 1 |
| 17905586 | 10.1016/j.bmc.2007.09.028 | Cytochrome P450 2C9 | 1 |
| 17905586 | 10.1016/j.bmc.2007.09.028 | HT-29 | 1 |
Data from ChEMBL 36 via Core Engine