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Compound Detail

CHEMBL193187

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O=C1N(Cc2ccc(COc3ccc(-c4ccc(Cl)cc4)cc3)cc2)CCN1c1ccncc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL193187
Phase Preclinical
Structure Type MOL
InChI Key LYFIKDXGHYCONA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

470.0
MW (Da)
6.42
ALogP
3
HBA
0
HBD
45.7
PSA (Ų)
0.31
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H24ClN3O2
MW 469.97
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.31

Literature References

PubMed DOI Target Context # Activities
15887961 10.1021/jm050033v Enterovirus 2
15887961 10.1021/jm050033v ADMET 1

Data from ChEMBL 36 via Core Engine