Compound Detail
CHEMBL502775
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Basic Information
| ChEMBL ID | CHEMBL502775 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HVUVBNCTBKJHHZ-ZZXKWVIFSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
314.2
MW (Da)
2.11
ALogP
6
HBA
4
HBD
128.2
PSA (Ų)
0.32
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1/gamma-2 CHEMBL3883319 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| Heat shock 70 kDa protein 1A CHEMBL5460 | IC50 | 6.48 | 6.48 | 332.0 | 1 |
| Heat shock cognate 71 kDa protein CHEMBL1275223 | IC50 | 5.56 | 5.56 | 2730.0 | 1 |
| Glyceraldehyde-3-phosphate dehydrogenase CHEMBL2284 | IC50 | 4.8 | 4.8 | 15800.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.33 | 4.33 | 47000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1/gamma-2 | IC50 | = | 200.0 | nM | 6.7 | Inhibition of SIGKAFKILGYPDYD binding to biotinylated Gbeta1gamma2 (unknown orig... | - |
| Heat shock 70 kDa protein 1A | IC50 | = | 332.0 | nM | 6.48 | PUBCHEM_BIOASSAY: In Vitro Hsp70 Dose Response Fluorescence Polarization Assay f... | - |
| Heat shock cognate 71 kDa protein | IC50 | = | 2730.0 | nM | 5.56 | PUBCHEM_BIOASSAY: In Vitro Hsc70 Dose Response Fluorescence Polarization Assay. ... | - |
| Glyceraldehyde-3-phosphate dehydrogenase | IC50 | = | 15800.0 | nM | 4.8 | PUBCHEM_BIOASSAY: GAPDH Dose Response Colorimetric Assay. (Class of assay: confi... | - |
| Unchecked | IC50 | = | 47000.0 | nM | 4.33 | Inhibition of Escherichia coli MurD assessed as blockade of addition of D-[14C]G... | 19223185 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19223185 | 10.1016/j.bmc.2009.01.052 | Unchecked | 2 |
| 19223185 | 10.1016/j.bmc.2009.01.052 | Escherichia coli | 2 |
| 19223185 | 10.1016/j.bmc.2009.01.052 | Staphylococcus aureus | 1 |
| 22014548 | 10.1016/j.bmcl.2011.09.094 | dTDP-4-dehydrorhamnose reductase | 1 |
Data from ChEMBL 36 via Core Engine