Compound Detail
CHEMBL1471660
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Cc1cc(C2=NN=C(Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)SC2)c(C)n1CC1CCCO1
Basic Information
| ChEMBL ID | CHEMBL1471660 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | USWOEQVCPOOPEV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
517.7
MW (Da)
3.22
ALogP
9
HBA
1
HBD
97.5
PSA (Ų)
0.63
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hexokinase-1 CHEMBL2688 | EC50 | 4.53 | 4.53 | 29500.0 | 1 |
| Hexokinase HKDC1 CHEMBL1741200 | EC50 | 4.51 | 4.51 | 31200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hexokinase-1 | EC50 | = | 29500.0 | nM | 4.53 | PUBCHEM_BIOASSAY: Dose Response confirmation of activators of hexokinase domain ... | - |
| Hexokinase HKDC1 | EC50 | = | 31200.0 | nM | 4.51 | PUBCHEM_BIOASSAY: Dose Response confirmation of activators of hexokinase domain ... | - |
Data from ChEMBL 36 via Core Engine