Compound Detail
CHEMBL57481
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Basic Information
| ChEMBL ID | CHEMBL57481 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CSNXUYRHPXGSJD-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
145.2
MW (Da)
1.94
ALogP
2
HBA
1
HBD
33.1
PSA (Ų)
0.61
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.26
Kd 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.26 | 5.26 | 5530.0 | 1 |
| MAP kinase-activated protein kinase 2 CHEMBL2208 | IC50 | 4.07 | 4.07 | 85000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 5530.0 | nM | 5.26 | PUBCHEM_BIOASSAY: A biochemical assay using the ADP-Hunter methodology, purified... | - |
| MAP kinase-activated protein kinase 2 | IC50 | = | 85000.0 | nM | 4.07 | Inhibition of human recombinant MK2 expressed in Escherichia coli BL21(DE3) afte... | 18771253 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873455 | 10.1016/s0960-894x(98)00335-7 | Helicobacter pylori | 4 |
| 7473550 | 10.1021/jm00021a012 | Unchecked | 1 |
| 18771253 | 10.1021/jm800747w | MAP kinase-activated protein kinase 2 | 1 |
| 27167503 | 10.1021/acs.jmedchem.6b00215 | Peregrin | 1 |
| - | 10.6019/CHEMBL4296182 | Escherichia coli | 1 |
| - | 10.6019/CHEMBL4296182 | Klebsiella pneumoniae | 1 |
| - | 10.6019/CHEMBL4296182 | Cryptococcus neoformans | 1 |
| - | 10.6019/CHEMBL4296182 | Staphylococcus aureus | 1 |
| - | 10.6019/CHEMBL4296182 | Acinetobacter baumannii | 1 |
| - | 10.6019/CHEMBL4296182 | Pseudomonas aeruginosa | 1 |
| - | 10.6019/CHEMBL4296182 | Candida albicans | 1 |
Data from ChEMBL 36 via Core Engine