Compound Detail
CHEMBL4215435
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C#CCNC(=O)[C@H](CCCCNC(=O)CON=CC[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](CC[C@H](C)[C@H](O)[C@H](C)[C@@H]1C/C=C/[C@H](OC)C[C@H](C)C/C=C(\C)[C@@H](OC)CC[C@@H](C)[C@@H](O)[C@H](C)[C@H](OC(=O)C(COC)N(C)C)C/C=C/C=C/C(=O)O1)OC(=O)[C@H](C)N(C)C)NC(=O)CCC(=O)NCCCOCCOCCOCCCNC(=O)c1ccc(C2(C(F)(F)F)N=N2)cc1
Basic Information
| ChEMBL ID | CHEMBL4215435 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NPBTYCGUXBTDPI-DJMGMCKASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1788.2
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa S3 CHEMBL4296436 | IC50 | 8.92 | 8.92 | 1.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa S3 | IC50 | = | 1.2 | nM | 8.92 | Cytotoxicity against human HeLaS3 cells after 96 hrs by MTT assay | 29042221 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29042221 | 10.1016/j.bmc.2017.09.044 | Unchecked | 4 |
| 29042221 | 10.1016/j.bmc.2017.09.044 | HeLa S3 | 1 |
Data from ChEMBL 36 via Core Engine