Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL275436

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
O=C1N(CCCCCCOc2cccc(Br)c2)CCN1c1ccncc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL275436
Phase Preclinical
Structure Type MOL
InChI Key HSOANUXDIXWHDP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

418.3
MW (Da)
4.73
ALogP
3
HBA
0
HBD
45.7
PSA (Ų)
0.55
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H24BrN3O2
MW 418.34
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.53

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