Compound Detail
CHEMBL3800420
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Basic Information
| ChEMBL ID | CHEMBL3800420 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ACOJXRCLGVKBMW-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
6
PK Parameters
2
Publications
0
Known Names
Molecular Properties
378.4
MW (Da)
2.61
ALogP
8
HBA
0
HBD
86.7
PSA (Ų)
0.48
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 9.37 | 9.335 | 0.4 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 780.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 22.33 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 552.4 | nM | Rattus norvegicus |
| F | 9.4 | % | Rattus norvegicus |
| T1/2 | 1.14 | hr | Rattus norvegicus |
| Tmax | 2.5 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | IC50 | = | 0.43 | nM | 9.37 | Inhibition of c-Met in human EBC-1 cells assessed as reduction in cell prolifera... | 27061987 |
| Hepatocyte growth factor receptor | IC50 | = | 0.5 | nM | 9.3 | Inhibition of recombinant c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as su... | 27061987 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27061987 | 10.1016/j.ejmech.2016.03.076 | Rattus norvegicus | 7 |
| 27061987 | 10.1016/j.ejmech.2016.03.076 | Hepatocyte growth factor receptor | 2 |
Data from ChEMBL 36 via Core Engine