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Compound Detail

CHEMBL289760

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CSc1ccc(OCCCCCCN2CCN(c3ccnc(Cl)c3)C2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL289760
Phase Preclinical
Structure Type MOL
InChI Key JRBZLPKKLMSFBI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

420.0
MW (Da)
5.34
ALogP
4
HBA
0
HBD
45.7
PSA (Ų)
0.30
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H26ClN3O2S
MW 419.98
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.57

Literature References

PubMed DOI Target Context # Activities
11931618 10.1021/jm010536a Enterovirus A71 1
11931618 10.1021/jm010536a NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine