Compound Detail
CHEMBL316059
1,8-NAPHTHALIC ANHYDRIDE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL316059 |
| Name | 1,8-NAPHTHALIC ANHYDRIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GRSMWKLPSNHDHA-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
198.2
MW (Da)
2.15
ALogP
3
HBA
0
HBD
43.4
PSA (Ų)
0.48
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.06
Ki 1 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thymidylate synthase CHEMBL1952 | Ki | 5.7 | 5.7 | 2000.0 | 1 |
| NAD-dependent histone deacetylase SIR2 CHEMBL3275 | IC50 | 5.06 | 5.06 | 8800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thymidylate synthase | Ki | = | 2000.0 | nM | 5.7 | Inhibition of human thymidylate synthase A | 23273520 |
| NAD-dependent histone deacetylase SIR2 | IC50 | = | 8800.0 | nM | 5.06 | In vitro inhibition of sirtuin 2 was evaluated using yeast whole cell lysates | 15115404 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1584/jpestics.22.6 | Zea mays | 12 |
| 15115404 | 10.1021/jm030473r | NAD-dependent histone deacetylase SIR2 | 3 |
| 23273520 | 10.1016/j.bmcl.2012.11.117 | Thymidylate synthase | 3 |
| - | 10.1007/s00044-010-9384-4 | Radical scavenging activity | 1 |
| 32071682 | 10.1021/acsmedchemlett.9b00521 | Plasmodium falciparum | 1 |
| 32071682 | 10.1021/acsmedchemlett.9b00521 | Vero | 1 |
| 32071682 | 10.1021/acsmedchemlett.9b00521 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine