Compound Detail
CHEMBL316658
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 | CHEMBL316658 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LUMATLSEPMKELP-UHFFFAOYSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
228.3
MW (Da)
2.45
ALogP
4
HBA
0
HBD
34.9
PSA (Ų)
0.64
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Potassium-transporting ATPase CHEMBL2095228 | IC50 | 6.72 | 6.72 | 190.0 | 1 |
| Hexokinase CHEMBL1741201 | IC50 | 5.64 | 5.64 | 2270.0 | 1 |
| Bos taurus CHEMBL613489 | IC50 | 5.52 | 5.4667 | 3000.0 | 3 |
| Histone acetyltransferase KAT2B CHEMBL5500 | IC50 | 5.21 | 5.16 | 6100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Potassium-transporting ATPase | IC50 | = | 190.0 | nM | 6.72 | Inhibition of porcine gastric H+/K+ ATPase | 9022797 |
| Hexokinase | IC50 | = | 2270.0 | nM | 5.64 | PUBCHEM_BIOASSAY: Confirmation assay for inhibitors of Trypanosoma brucei hexoki... | - |
| Bos taurus | IC50 | = | 3000.0 | nM | 5.52 | In vitro inhibition of IL1-beta (interleukin-1-beta) induced degradation of bovi... | - |
| Bos taurus | IC50 | = | 3000.0 | nM | 5.52 | In vitro ability to inhibit cartilage breakdown by using 1L-1beta stimulated bov... | - |
| Bos taurus | IC50 | = | 4400.0 | nM | 5.36 | In vitro inhibition of human recombinant IL-1-beta-induced breakdown of bovine c... | 7932530 |
| Histone acetyltransferase KAT2B | IC50 | = | 6100.0 | nM | 5.21 | Inhibition of GST-fused recombinant HAT PCAF expressed in Escherichia coli by fi... | 19101154 |
| Histone acetyltransferase KAT2B | IC50 | = | 7850.0 | nM | 5.11 | Inhibition of histone acetylase activity of human recombinant PCAF expressed in ... | 21353783 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20485427 | 10.1038/nature09107 | Plasmodium falciparum | 4 |
| 21353783 | 10.1016/j.bmc.2011.01.063 | Histone acetyltransferase KAT2B | 2 |
| 9022797 | 10.1021/jm9605593 | Potassium-transporting ATPase | 1 |
| - | 10.1016/S0960-894X(01)80860-X | Bos taurus | 1 |
| 7932530 | 10.1021/jm00045a012 | Bos taurus | 1 |
| - | 10.1016/S0960-894X(01)80782-4 | Bos taurus | 1 |
| 19101154 | 10.1016/j.bmc.2008.11.079 | Histone acetyltransferase KAT2B | 1 |
| 20485427 | 10.1038/nature09107 | HepG2 | 1 |
| 20485427 | 10.1038/nature09107 | Unchecked | 1 |
| 21353783 | 10.1016/j.bmc.2011.01.063 | SK-N-SH | 1 |
| 21353783 | 10.1016/j.bmc.2011.01.063 | HCT-116 | 1 |
| 21353783 | 10.1016/j.bmc.2011.01.063 | MCF7 | 1 |
| - | 10.6019/CHEMBL3433997 | Solute carrier family 2, facilitated glucose transporter member 1 | 1 |
| - | 10.6019/CHEMBL3433997 | Hexose transporter 1 | 1 |
| - | 10.6019/CHEMBL3433997 | Glucose transporter | 1 |
Data from ChEMBL 36 via Core Engine