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Compound Detail

CHEMBL490209

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CC(C)(C)OC(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)Oc1cncc(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL490209
Phase Preclinical
Structure Type MOL
InChI Key QMHFICDTFZLPHF-MBNYWOFBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

427.9
MW (Da)
2.60
ALogP
7
HBA
1
HBD
97.8
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H22ClN3O5S
MW 427.91
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness -0.30

Literature References

PubMed DOI Target Context # Activities
18796354 10.1016/j.bmcl.2008.08.082 SARS-CoV 1
18796354 10.1016/j.bmcl.2008.08.082 Replicase polyprotein 1a 1

Data from ChEMBL 36 via Core Engine