Compound Detail
CHEMBL2431834
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 | CHEMBL2431834 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VKIVUAVVIMZCSX-LBPRGKRZSA-N |
5
Targets
6
Activities
2
Assay Types
1
PK Parameters
13
Publications
0
Known Names
Molecular Properties
356.4
MW (Da)
2.78
ALogP
8
HBA
0
HBD
87.2
PSA (Ų)
0.49
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.15
Ki 1 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 9.15 | 9.15 | 0.7 | 1 |
| Hepatocyte growth factor receptor CHEMBL3717 | Ki | 8.85 | 8.85 | 1.4 | 1 |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B CHEMBL290 | IC50 | 6.16 | 6.16 | 699.0 | 1 |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A CHEMBL241 | IC50 | 5.9 | 5.9 | 1250.0 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4C CHEMBL291 | IC50 | 5.68 | 5.68 | 2080.0 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4D CHEMBL288 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 7.6 | mL.min-1.g-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | IC50 | = | 0.7 | nM | 9.15 | Inhibition of c-Met autophosphorylation in human A549 cells after 1 hr by ELISA | 23944843 |
| Hepatocyte growth factor receptor | Ki | = | 1.4 | nM | 8.85 | Inhibition of N-terminal His-6-tagged human recombinant c-Met (974 to 1390) usin... | 23944843 |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B | IC50 | = | 699.0 | nM | 6.16 | Inhibition of PDE3B (unknown origin) | 23944843 |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A | IC50 | = | 1250.0 | nM | 5.9 | Inhibition of PDE3A (unknown origin) | 23944843 |
| 3',5'-cyclic-AMP phosphodiesterase 4C | IC50 | = | 2080.0 | nM | 5.68 | Inhibition of PDE4C (unknown origin) | 23944843 |
| 3',5'-cyclic-AMP phosphodiesterase 4D | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of PDE4D (unknown origin) | 23944843 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23944843 | 10.1021/jm400926x | Hepatocyte growth factor receptor | 2 |
| 23944843 | 10.1021/jm400926x | Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A | 1 |
| 23944843 | 10.1021/jm400926x | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 1 |
| 23944843 | 10.1021/jm400926x | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 23944843 | 10.1021/jm400926x | 3',5'-cyclic-AMP phosphodiesterase 4D | 1 |
| 23944843 | 10.1021/jm400926x | 3',5'-cyclic-AMP phosphodiesterase 4C | 1 |
| 23944843 | 10.1021/jm400926x | cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B | 1 |
| 23944843 | 10.1021/jm400926x | cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A | 1 |
| 23944843 | 10.1021/jm400926x | cGMP-dependent 3',5'-cyclic phosphodiesterase | 1 |
| 23944843 | 10.1021/jm400926x | Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C | 1 |
| 23944843 | 10.1021/jm400926x | Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A | 1 |
| 23944843 | 10.1021/jm400926x | No relevant target | 1 |
| 23944843 | 10.1021/jm400926x | Liver microsomes | 1 |
Data from ChEMBL 36 via Core Engine