Compound Detail
CHEMBL471004
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Basic Information
| ChEMBL ID | CHEMBL471004 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BSAMRWOMXJWVCE-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
394.4
MW (Da)
3.25
ALogP
6
HBA
4
HBD
128.2
PSA (Ų)
0.30
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heat shock 70 kDa protein 1A CHEMBL5460 | IC50 | 6.2 | 6.2 | 634.0 | 1 |
| Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1/gamma-2 CHEMBL3883319 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
| Heat shock cognate 71 kDa protein CHEMBL1275223 | IC50 | 5.25 | 5.25 | 5580.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.37 | 4.37 | 43000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heat shock 70 kDa protein 1A | IC50 | = | 634.0 | nM | 6.2 | PUBCHEM_BIOASSAY: In Vitro Hsp70 Dose Response Fluorescence Polarization Assay f... | - |
| Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1/gamma-2 | IC50 | = | 700.0 | nM | 6.16 | Inhibition of SIGKAFKILGYPDYD binding to biotinylated Gbeta1gamma2 (unknown orig... | - |
| Heat shock cognate 71 kDa protein | IC50 | = | 5580.0 | nM | 5.25 | PUBCHEM_BIOASSAY: In Vitro Hsc70 Dose Response Fluorescence Polarization Assay. ... | - |
| Unchecked | IC50 | = | 43000.0 | nM | 4.37 | 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 | Escherichia coli | 2 |
| 22524450 | 10.1021/jm201624h | M-phase inducer phosphatase 2 | 2 |
| 19223185 | 10.1016/j.bmc.2009.01.052 | Unchecked | 1 |
| 19223185 | 10.1016/j.bmc.2009.01.052 | Staphylococcus aureus | 1 |
| 22524450 | 10.1021/jm201624h | M-phase inducer phosphatase 3 | 1 |
| 22524450 | 10.1021/jm201624h | M-phase inducer phosphatase 1 | 1 |
Data from ChEMBL 36 via Core Engine