Compound Detail
CHEMBL1604990
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 | CHEMBL1604990 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FEYYSMQPLBJMDD-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1625589 |
| Active Moiety | CHEMBL1625589 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
342.5
MW (Da)
5.00
ALogP
5
HBA
2
HBD
49.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hexokinase HKDC1 CHEMBL1741200 | EC50 | 4.42 | 4.42 | 38100.0 | 1 |
| Hexokinase-1 CHEMBL2688 | EC50 | 4.32 | 4.32 | 47400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hexokinase HKDC1 | EC50 | = | 38100.0 | nM | 4.42 | PUBCHEM_BIOASSAY: Dose Response confirmation of activators of hexokinase domain ... | - |
| Hexokinase-1 | EC50 | = | 47400.0 | nM | 4.32 | PUBCHEM_BIOASSAY: Dose Response confirmation of activators of hexokinase domain ... | - |
Data from ChEMBL 36 via Core Engine