Compound Detail
CHEMBL1222015
DIDEHYDRO ISOMIGRASTATIN Enter ChEMBL ID:
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CO[C@H]1/C=C/CC/C=C/C(=O)O[C@@H](/C(C)=C/[C@H](C)C(=O)/C=C/CC2CC(=O)NC(=O)C2)[C@@H](C)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL1222015 |
| Name | DIDEHYDRO ISOMIGRASTATIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LQVKRWFHOOILCY-BWJLEZRPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
487.6
MW (Da)
2.97
ALogP
7
HBA
2
HBD
119.0
PSA (Ų)
0.25
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | IC50 | 5.72 | 5.72 | 1909.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | IC50 | = | 1909.0 | nM | 5.72 | Inhibition of protein synthesis in human HeLa cells assessed as [35S]cysteine/me... | 20118940 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20118940 | 10.1038/nchembio.304 | HeLa | 3 |
| 20118940 | 10.1038/nchembio.304 | MDA-MB-231 | 1 |
| 20118940 | 10.1038/nchembio.304 | Jurkat | 1 |
Data from ChEMBL 36 via Core Engine