Compound Detail
CHEMBL483790
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Basic Information
| ChEMBL ID | CHEMBL483790 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QGSJYYIRAFRPIT-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
192.2
MW (Da)
2.10
ALogP
4
HBA
2
HBD
59.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fructose-1,6-bisphosphatase 1 CHEMBL2263 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| MAP kinase-interacting serine/threonine-protein kinase 1 CHEMBL4718 | IC50 | 4.24 | 4.24 | 57000.0 | 1 |
| MAP kinase-interacting serine/threonine-protein kinase 2 CHEMBL4204 | IC50 | 4.22 | 4.22 | 60000.0 | 1 |
| Leukotriene A-4 hydrolase CHEMBL4618 | IC50 | 2.84 | 2.84 | 1443000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fructose-1,6-bisphosphatase 1 | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of pig FBPase expressed in Escherichia coli EK1601 by spectrophotomet... | 19419876 |
| MAP kinase-interacting serine/threonine-protein kinase 1 | IC50 | = | 57000.0 | nM | 4.24 | Inhibition of N-terminal GST-tagged MNK1 (unknown origin) (37 to 341 residues) e... | 31910010 |
| MAP kinase-interacting serine/threonine-protein kinase 2 | IC50 | = | 60000.0 | nM | 4.22 | Inhibition of N-terminal GST-tagged MNK2 (unknown origin) (72 to 385 residues) e... | 31910010 |
| Leukotriene A-4 hydrolase | IC50 | = | 1443000.0 | nM | 2.84 | Inhibition of hydrolase activity of human recombinant LTA4H expressed in Escheri... | 19618939 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25559643 | 10.1021/jm501402x | Unchecked | 3 |
| 19618939 | 10.1021/jm900259h | Leukotriene A-4 hydrolase | 2 |
| 19527033 | 10.1021/jm900414x | Pteridine reductase, putative | 1 |
| 19618939 | 10.1021/jm900259h | Blood | 1 |
| 19618939 | 10.1021/jm900259h | No relevant target | 1 |
| 19419876 | 10.1016/j.bmc.2009.04.030 | Fructose-1,6-bisphosphatase 1 | 1 |
| 25559643 | 10.1021/jm501402x | Apical membrane antigen 1 | 1 |
| 25559643 | 10.1021/jm501402x | SPRY domain-containing SOCS box protein 2 | 1 |
| 25559643 | 10.1021/jm501402x | Carbonic anhydrase 2 | 1 |
| 31910010 | 10.1021/acs.jmedchem.9b01582 | MAP kinase-interacting serine/threonine-protein kinase 1 | 1 |
| 31910010 | 10.1021/acs.jmedchem.9b01582 | MAP kinase-interacting serine/threonine-protein kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine