Compound Detail
CHEMBL5408530
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
C[C@H](c1cccc(-c2ncc(OCC3CCN(C)CC3)cn2)c1)n1cc(-c2cc(C#N)ccn2)cc(F)c1=O
Basic Information
| ChEMBL ID | CHEMBL5408530 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UDDRTVZAZBIBBN-HXUWFJFHSA-N |
2
Targets
2
Activities
1
Assay Types
3
PK Parameters
3
Publications
0
Known Names
Molecular Properties
524.6
MW (Da)
4.71
ALogP
8
HBA
0
HBD
96.9
PSA (Ų)
0.35
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 8.96 | 8.96 | 1.1 | 1 |
| MHCC97H CHEMBL4296470 | IC50 | 8.06 | 8.06 | 8.8 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.8183 | hr | Mus musculus |
| T1/2 | 1.035 | hr | Homo sapiens |
| T1/2 | 0.6083 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | IC50 | = | 1.09 | nM | 8.96 | Inhibition of MET (unknown origin) | 37262349 |
| MHCC97H | IC50 | = | 8.8 | nM | 8.06 | Antiproliferative activity against human MHCC97H cells assessed as inhibition of... | 37262349 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37262349 | 10.1021/acs.jmedchem.3c00028 | ADMET | 3 |
| 37262349 | 10.1021/acs.jmedchem.3c00028 | Hepatocyte growth factor receptor | 1 |
| 37262349 | 10.1021/acs.jmedchem.3c00028 | MHCC97H | 1 |
Data from ChEMBL 36 via Core Engine