Compound Detail
CHEMBL439714
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Cc1c2oc3c(C)c4oc(-c5ccccc5)nc4c(C(=O)N[C@H]4C(=O)N[C@@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@H](C(C)C)C(=O)O[C@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c(N)c1=O
Basic Information
| ChEMBL ID | CHEMBL439714 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PFMLYAYVHFDTFM-VIVKYSJWSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1372.5
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P388 CHEMBL389 | IC50 | 10.15 | 9.625 | 0.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P388 | IC50 | = | 0.07 | nM | 10.15 | Inhibition of RNA synthesis was measured as the concentration required to cause ... | 2985784 |
| P388 | IC50 | = | 0.8 | nM | 9.1 | Inhibition of DNA synthesis was measured as the concentration required to cause ... | 2985784 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2985784 | 10.1021/jm50001a015 | Mus musculus | 11 |
| 2985784 | 10.1021/jm50001a015 | P388 | 2 |
| 2985784 | 10.1021/jm50001a015 | CCRF-CEM | 1 |
| 2985784 | 10.1021/jm50001a015 | Unchecked | 1 |
| 2985784 | 10.1021/jm50001a015 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine