Compound Detail
CHEMBL1594881
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O=C1c2ccccc2C(=O)c2c(Nc3cc4c5c(ccc6c7ccc8c9c(cc(Nc%10cccc%11c%10C(=O)c%10ccccc%10C%11=O)c(c3c56)c97)-c3ccccc3C8=O)C(=O)c3ccccc3-4)cccc21
Basic Information
| ChEMBL ID | CHEMBL1594881 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UGSQFDNHGAUKMD-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
898.9
MW (Da)
13.20
ALogP
8
HBA
2
HBD
126.5
PSA (Ų)
0.13
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.87
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 | 4.87 | 4.835 | 13500.0 | 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 | = | 13500.0 | nM | 4.87 | Inhibition of biotinylated Gbeta1gamma2 (unknown origin)-mediated PI3Kgamma acti... | - |
| Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1/gamma-2 | IC50 | = | 16000.0 | nM | 4.8 | Inhibition of SIGKAFKILGYPDYD binding to biotinylated Gbeta1gamma2 (unknown orig... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900419 | 10.1021/ml300139n | NAD-dependent protein deacylase sirtuin-6 | 1 |
Data from ChEMBL 36 via Core Engine