Compound Detail
CHEMBL291725
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL291725 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SWAWYMIKGOHZMR-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
341.4
MW (Da)
3.56
ALogP
2
HBA
2
HBD
69.0
PSA (Ų)
0.55
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-1 CHEMBL4506 | IC50 | 4.8 | 4.8 | 15700.0 | 1 |
| NAD-dependent protein deacetylase sirtuin-2 CHEMBL4462 | IC50 | 4.62 | 4.5267 | 24100.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-1 | IC50 | = | 15700.0 | nM | 4.8 | Inhibition of human SIRT1 by radioactive deacetylase assay | 17149860 |
| NAD-dependent protein deacetylase sirtuin-2 | IC50 | = | 24100.0 | nM | 4.62 | Inhibition of human recombinant SIRT2 by radioactive deacetylase assay | 17149860 |
| NAD-dependent protein deacetylase sirtuin-2 | IC50 | = | 33000.0 | nM | 4.48 | Inhibition of human recombinant SIRT2 | 17149860 |
| NAD-dependent protein deacetylase sirtuin-2 | IC50 | = | 33000.0 | nM | 4.48 | Inhibition of human recombinant SIRT2 by fluorescent deacetylase assay | 17149860 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10998351 | 10.1042/0264-6021:3510095 | Unchecked | 5 |
| 17149860 | 10.1021/jm060118b | NAD-dependent protein deacetylase sirtuin-1 | 3 |
| 17149860 | 10.1021/jm060118b | NAD-dependent protein deacetylase sirtuin-2 | 3 |
| 19053831 | 10.1021/jm800758s | Unchecked | 2 |
| 1874734 | 10.1016/s0021-9258(18)98476-0 | Unchecked | 1 |
| 1732526 | 10.1021/jm00079a024 | Protein kinase C gamma type | 1 |
| 10998351 | 10.1042/0264-6021:3510095 | Glycogen synthase kinase-3 beta | 1 |
| 10998351 | 10.1042/0264-6021:3510095 | Ribosomal protein S6 kinase beta-1 | 1 |
| 10998351 | 10.1042/0264-6021:3510095 | Serine/threonine-protein kinase Sgk1 | 1 |
| 10998351 | 10.1042/0264-6021:3510095 | RAC-alpha serine/threonine-protein kinase | 1 |
| 10998351 | 10.1042/0264-6021:3510095 | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial | 1 |
| 10998351 | 10.1042/0264-6021:3510095 | Protein kinase C alpha type | 1 |
| 10998351 | 10.1042/0264-6021:3510095 | MAP kinase-activated protein kinase 5 | 1 |
| 10998351 | 10.1042/0264-6021:3510095 | Ribosomal protein S6 kinase alpha-5 | 1 |
| 10998351 | 10.1042/0264-6021:3510095 | MAP kinase-activated protein kinase 2 | 1 |
| 10998351 | 10.1042/0264-6021:3510095 | Mitogen-activated protein kinase 13 | 1 |
| 10998351 | 10.1042/0264-6021:3510095 | Mitogen-activated protein kinase 12 | 1 |
| 10998351 | 10.1042/0264-6021:3510095 | Mitogen-activated protein kinase 11 | 1 |
| 10998351 | 10.1042/0264-6021:3510095 | Mitogen-activated protein kinase 14 | 1 |
| 10998351 | 10.1042/0264-6021:3510095 | Mitogen-activated protein kinase 8 | 1 |
Data from ChEMBL 36 via Core Engine