Compound Detail
CHEMBL3883779
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C[n+]1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5cc[n+](C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.[I-].[I-]
Basic Information
| ChEMBL ID | CHEMBL3883779 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LVZFYFIZEGVUOS-GIAQKWRESA-M |
| Parent Compound | CHEMBL342378 |
| Active Moiety | CHEMBL342378 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
646.8
MW (Da)
8.97
ALogP
2
HBA
2
HBD
65.1
PSA (Ų)
0.19
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.28 | 7.28 | 52.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 52.3 | nM | 7.28 | Phototoxicity against human HaCaT cells assessed as reduction in cell viability ... | 27956348 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27956348 | 10.1016/j.bmcl.2016.11.094 | NON-PROTEIN TARGET | 4 |
| 27956348 | 10.1016/j.bmcl.2016.11.094 | No relevant target | 3 |
Data from ChEMBL 36 via Core Engine