Compound Detail
CHEMBL4464754
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 | CHEMBL4464754 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SRBNCTZWNGFYDI-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
419.0
MW (Da)
3.12
ALogP
6
HBA
2
HBD
83.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Chitotriosidase-1 CHEMBL3080 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
| Acidic mammalian chitinase CHEMBL2052027 | IC50 | 7.25 | 7.25 | 56.0 | 1 |
| Acidic mammalian chitinase CHEMBL1293197 | IC50 | 7.17 | 7.17 | 68.0 | 1 |
| Chitotriosidase-1 CHEMBL4105845 | IC50 | 6.12 | 6.12 | 750.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Chitotriosidase-1 | IC50 | = | 21.0 | nM | 7.68 | Inhibition of full-length C-terminal his-tagged human CHIT1 expressed in CHOK1 c... | 31291098 |
| Acidic mammalian chitinase | IC50 | = | 56.0 | nM | 7.25 | Inhibition of full-length C-terminal his-tagged mouse acidic mammalian chitinase... | 31291098 |
| Acidic mammalian chitinase | IC50 | = | 68.0 | nM | 7.17 | Inhibition of full-length C-terminal his-tagged human acidic mammalian chitinase... | 31291098 |
| Chitotriosidase-1 | IC50 | = | 750.0 | nM | 6.12 | Inhibition of full-length C-terminal his-tagged mouse CHIT1 expressed in CHO-K1 ... | 31291098 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 11000.0 | nM | 4.96 | Displacement of Tracer Red from human ERG by fluorescence polarization assay | 31291098 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31291098 | 10.1021/acs.jmedchem.9b00681 | Chitotriosidase-1 | 2 |
| 31291098 | 10.1021/acs.jmedchem.9b00681 | Acidic mammalian chitinase | 2 |
| 31291098 | 10.1021/acs.jmedchem.9b00681 | Sodium-dependent dopamine transporter | 1 |
| 31291098 | 10.1021/acs.jmedchem.9b00681 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine