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Compound Detail

CHEMBL3780528

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O=C(NNc1c(Cl)cccc1Cl)c1cccc(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3780528
Phase Preclinical
Structure Type MOL
InChI Key FWCCIVKFWIXNFA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

315.6
MW (Da)
4.40
ALogP
2
HBA
2
HBD
41.1
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H9Cl3N2O
MW 315.59
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.77

Literature References

PubMed DOI Target Context # Activities
26885567 10.1021/acs.jmedchem.5b01803 Enterovirus A71 2

Data from ChEMBL 36 via Core Engine