Compound Detail
CHEMBL3426892
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 | CHEMBL3426892 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MMJSYUQCKWEFRW-KRWDZBQOSA-N |
3
Targets
3
Activities
1
Assay Types
1
PK Parameters
6
Publications
0
Known Names
Molecular Properties
402.9
MW (Da)
3.22
ALogP
7
HBA
2
HBD
65.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Activated CDC42 kinase 1 CHEMBL4599 | IC50 | 7.09 | 7.09 | 82.0 | 1 |
| LNCaP CHEMBL612518 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 6.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Activated CDC42 kinase 1 | IC50 | = | 82.0 | nM | 7.09 | Inhibition of ACK1 kinase (unknown origin) | 25699576 |
| LNCaP | IC50 | = | 1800.0 | nM | 5.75 | Anticancer activity against human LNCAP cells assessed as inhibition of cell gro... | 25699576 |
| NON-PROTEIN TARGET | IC50 | = | 4000.0 | nM | 5.4 | Anticancer activity against human VCaP cells assessed as inhibition of cell grow... | 25699576 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25699576 | 10.1021/jm501929n | Activated CDC42 kinase 1 | 2 |
| 25699576 | 10.1021/jm501929n | LNCaP | 1 |
| 25699576 | 10.1021/jm501929n | LAPC4 | 1 |
| 25699576 | 10.1021/jm501929n | NON-PROTEIN TARGET | 1 |
| 25699576 | 10.1021/jm501929n | Plasma | 1 |
| 25699576 | 10.1021/jm501929n | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine