Compound Detail
CHEMBL4651002
SAFUSIDENIB 🧪 Phase II
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🧪 Phase II
Cc1cn(C(=O)c2c(-c3c(Cl)cc(Cl)cc3Cl)noc2C(C)(C)F)c2cccc(/C=C/C(=O)O)c12
Basic Information
| ChEMBL ID | CHEMBL4651002 |
| Name | SAFUSIDENIB |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | BOOMBLZEOHXPPX-BQYQJAHWSA-N |
2
Targets
10
Activities
1
Assay Types
0
PK Parameters
5
Publications
3
Known Names
2
Indications
Molecular Properties
535.8
MW (Da)
7.56
ALogP
5
HBA
1
HBD
85.3
PSA (Ų)
0.27
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Neoplasms Paraganglioma
Activity Summary
IC50 10 meas. best 8.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Isocitrate dehydrogenase [NADP] cytoplasmic CHEMBL2007625 | IC50 | 8.08 | 7.6144 | 8.4 | 9 |
| TF-1 CHEMBL612552 | IC50 | 7.54 | 7.54 | 29.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37235998 | 10.1016/j.ejmech.2023.115464 | Isocitrate dehydrogenase [NADP] cytoplasmic | 6 |
| 37235998 | 10.1016/j.ejmech.2023.115464 | Isocitrate dehydrogenase [NADP], mitochondrial | 2 |
| 37235998 | 10.1016/j.ejmech.2023.115464 | Unchecked | 2 |
| 37235998 | 10.1016/j.ejmech.2023.115464 | ADMET | 1 |
| 37235998 | 10.1016/j.ejmech.2023.115464 | TF-1 | 1 |
Data from ChEMBL 36 via Core Engine