Compound Detail
CHEMBL4740606
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CCCCCCOC(C)c1c(C)c2cc3nc(c(CC(=O)OC)c4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CC)c(C)c4C(=O)NCc1cccc(C#Cc2cccc(Nc4ncnc5cc(OCCOC)c(OCCOC)cc45)c2)c1)[C@@H](CCC(=O)OC)[C@@H]3C
Basic Information
| ChEMBL ID | CHEMBL4740606 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YKYCEWCPQQMHBY-LZLAWSHUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1207.5
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| UMUC3 CHEMBL612799 | IC50 | 8.46 | 8.46 | 3.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| UMUC3 | IC50 | = | 3.5 | nM | 8.46 | Photosensitizing activity in human UMUC3 cells assessed as reduction in cell via... | 33400524 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33400524 | 10.1021/acs.jmedchem.0c01735 | Unchecked | 3 |
| 33400524 | 10.1021/acs.jmedchem.0c01735 | ADMET | 1 |
| 33400524 | 10.1021/acs.jmedchem.0c01735 | UMUC3 | 1 |
Data from ChEMBL 36 via Core Engine