Compound Detail
CHEMBL3632717
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 | CHEMBL3632717 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LDACHLNBCOVNBL-UHFFFAOYSA-N |
7
Targets
8
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
438.5
MW (Da)
6.19
ALogP
6
HBA
2
HBD
80.7
PSA (Ų)
0.34
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Vascular endothelial growth factor receptor CHEMBL2095227 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Tyrosine-protein kinase Fyn CHEMBL1841 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Serine/threonine-protein kinase B-raf CHEMBL5145 | IC50 | 7.05 | 6.73 | 90.0 | 2 |
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| Platelet-derived growth factor receptor beta CHEMBL1913 | IC50 | 6.51 | 6.51 | 310.0 | 1 |
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mast/stem cell growth factor receptor Kit | IC50 | = | 20.0 | nM | 7.7 | Inhibition of c-KIT (unknown origin) | 26396681 |
| Vascular endothelial growth factor receptor | IC50 | = | 30.0 | nM | 7.52 | Inhibition of VEGFR (unknown origin) | 26396681 |
| Tyrosine-protein kinase Fyn | IC50 | = | 40.0 | nM | 7.4 | Inhibition of FYN (unknown origin) | 26396681 |
| Serine/threonine-protein kinase B-raf | IC50 | = | 90.0 | nM | 7.05 | Inhibition of B-RAF V600E mutant (unknown origin) | 26396681 |
| Tyrosine-protein kinase Lck | IC50 | = | 200.0 | nM | 6.7 | Inhibition of LCK (unknown origin) | 26396681 |
| Platelet-derived growth factor receptor beta | IC50 | = | 310.0 | nM | 6.51 | Inhibition of PDGFRbeta (unknown origin) | 26396681 |
| Serine/threonine-protein kinase B-raf | IC50 | = | 390.0 | nM | 6.41 | Inhibition of B-RAF V600E mutant in human SK-MEL-28 cells assessed as phosphoryl... | 26396681 |
| Cytochrome P450 3A4 | IC50 | = | 1800.0 | nM | 5.75 | Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate | 26396681 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26396681 | 10.1021/ml500526p | Serine/threonine-protein kinase B-raf | 2 |
| 26396681 | 10.1021/ml500526p | Tyrosine-protein kinase Fyn | 1 |
| 26396681 | 10.1021/ml500526p | Tyrosine-protein kinase Lck | 1 |
| 26396681 | 10.1021/ml500526p | Platelet-derived growth factor receptor beta | 1 |
| 26396681 | 10.1021/ml500526p | Mast/stem cell growth factor receptor Kit | 1 |
| 26396681 | 10.1021/ml500526p | Vascular endothelial growth factor receptor | 1 |
| 26396681 | 10.1021/ml500526p | Cytochrome P450 3A4 | 1 |
Data from ChEMBL 36 via Core Engine