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Compound Detail

CHEMBL2367812

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CC(C)[C@@H]1C(=O)N(S(C)(=O)=O)[C@@H]2CCN(C(=O)/C=C/CN3CCCCC3)[C@H]21

Basic Information

ChEMBL ID CHEMBL2367812
Phase Preclinical
Structure Type MOL
InChI Key NDNKNUMSTIMSHQ-URZKGLGPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

397.5
MW (Da)
1.07
ALogP
5
HBA
0
HBD
78.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H31N3O4S
MW 397.54
Aromatic Rings 0
Heavy Atoms 27
NP-Likeness -0.34

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
12061887 10.1021/jm0111245 ADMET 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1

Data from ChEMBL 36 via Core Engine