Compound Detail
CHEMBL16293
NAPHTHALENE Phase I
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Phase I
Basic Information
| ChEMBL ID | CHEMBL16293 |
| Name | NAPHTHALENE |
| Phase | Phase I |
| Structure Type | MOL |
| InChI Key | UFWIBTONFRDIAS-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
20
Publications
8
Known Names
1
Indications
Molecular Properties
128.2
MW (Da)
2.84
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
HIV Infections
Activity Summary
IC50 6 meas. best 4.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.68 | 4.68 | 20768.5 | 1 |
| Cytochrome P450 2A6 CHEMBL5282 | IC50 | 4.6 | 4.6 | 25000.0 | 2 |
| Cytochrome P450 2A5 CHEMBL4085 | IC50 | 4.13 | 4.13 | 73960.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 20768.5 | nM | 4.68 | PubChem BioAssay. GLP1 secretion from NCI-H716 cells-IC50. (Class of assay: co... | - |
| Cytochrome P450 2A6 | IC50 | = | 25000.0 | nM | 4.6 | Inhibitory concentration against human cytochrome P450 2A6 | 15658857 |
| Cytochrome P450 2A6 | IC50 | = | 25003.45 | nM | 4.6 | Inhibition of human CYP2A6 | 19110342 |
| Cytochrome P450 2A5 | IC50 | = | 74000.0 | nM | 4.13 | Inhibitory concentration against mouse cytochrome P450 2A5 | 15658857 |
| Cytochrome P450 2A5 | IC50 | = | 73960.53 | nM | 4.13 | Inhibition of mouse CYP2A5 | 19110342 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16699520 | 10.1038/nchembio791 | Caenorhabditis elegans | 54 |
| 20131802 | 10.1021/jf904093y | Eysarcoris | 4 |
| 20041672 | 10.1021/jm9016703 | No relevant target | 3 |
| 27908763 | 10.1016/j.bmcl.2016.11.048 | No relevant target | 3 |
| 24890655 | 10.1016/j.bmc.2014.05.019 | No relevant target | 2 |
| 16699520 | 10.1038/nchembio791 | Caspase-3 | 2 |
| 10956200 | 10.1021/jm0000822 | No relevant target | 2 |
| 15916432 | 10.1021/jm0489713 | Cytochrome P450 1A2 | 1 |
| 10543891 | 10.1021/np9805443 | Aspergillus fumigatus | 1 |
| 10543891 | 10.1021/np9805443 | Aspergillus flavus | 1 |
| 10543891 | 10.1021/np9805443 | Candida albicans | 1 |
| 15658857 | 10.1021/jm049536b | ADMET | 1 |
| 15658857 | 10.1021/jm049536b | Cytochrome P450 2A5 | 1 |
| 15658857 | 10.1021/jm049536b | Cytochrome P450 2A6 | 1 |
| 34772530 | 10.1016/j.ejmech.2021.113972 | Candida albicans | 1 |
| 11448232 | 10.1021/jm0100990 | No relevant target | 1 |
| 10956200 | 10.1021/jm0000822 | ADMET | 1 |
| 2993621 | 10.1021/jm00147a037 | No relevant target | 1 |
| 10866370 | 10.1016/s0960-894x(00)00172-4 | No relevant target | 1 |
| 3172126 | 10.1021/jm00118a010 | Albumin | 1 |
Data from ChEMBL 36 via Core Engine