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Compound Detail

CHEMBL288103

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O=C1N(CCCCCCOc2c(Cl)cccc2Cl)CCN1c1ccncc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL288103
Phase Preclinical
Structure Type MOL
InChI Key BEFYAVDDBXJQRF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

408.3
MW (Da)
5.27
ALogP
3
HBA
0
HBD
45.7
PSA (Ų)
0.53
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23Cl2N3O2
MW 408.33
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.41

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