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Compound Detail

CHEMBL1835917

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Cc1ccc(N2CCC(CCOc3ccc([S+](C)[O-])cc3)CC2)nn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1835917
Phase Preclinical
Structure Type MOL
InChI Key XPQUCXXCNVVRKO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

359.5
MW (Da)
3.21
ALogP
5
HBA
0
HBD
61.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H25N3O2S
MW 359.50
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.27

Literature References

PubMed DOI Target Context # Activities
21907579 10.1016/j.bmcl.2011.08.083 rhinovirus A16 1

Data from ChEMBL 36 via Core Engine