Compound Detail
CHEMBL1184904
RETASPIMYCIN 🧪 Phase III
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🧪 Phase III
C=CCNc1c(O)cc2c(O)c1C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\C=C(/C)C(=O)N2
Basic Information
| ChEMBL ID | CHEMBL1184904 |
| Name | RETASPIMYCIN |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | OAKGNIRUXAZDQF-TXHRRWQRSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
4
Known Names
Molecular Properties
587.7
MW (Da)
4.16
ALogP
9
HBA
6
HBD
172.6
PSA (Ų)
0.16
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 4 |
| 21177985 | 10.1124/dmd.110.036418 | Liver microsome | 2 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 21177985 | 10.1124/dmd.110.036418 | No relevant target | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
Data from ChEMBL 36 via Core Engine