Compound Detail
CHEMBL1723511
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Basic Information
| ChEMBL ID | CHEMBL1723511 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NYLLADZYPUKUTH-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
414.4
MW (Da)
4.53
ALogP
6
HBA
4
HBD
128.2
PSA (Ų)
0.25
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.89
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 | 6.89 | 6.89 | 130.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 6.46 | 6.445 | 347.9 | 2 |
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 | = | 130.0 | nM | 6.89 | Inhibition of SIGKAFKILGYPDYD binding to biotinylated Gbeta1gamma2 (unknown orig... | - |
| Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1/gamma-2 | IC50 | = | 130.0 | nM | 6.89 | Inhibition of G-protein beta1gamma2 (unknown origin) by flow cytometry | 31841625 |
| Unchecked | IC50 | = | 347.95 | nM | 6.46 | PubChem BioAssay. Counterscreen for inhibitors of LEDGF/p75-dependent integratio... | - |
| Unchecked | IC50 | = | 369.19 | nM | 6.43 | PubChem BioAssay. TR-FRET-based biochemical high throughput dose response assay ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31841625 | 10.1021/acs.jmedchem.9b01452 | Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1/gamma-2 | 1 |
Data from ChEMBL 36 via Core Engine