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Compound Detail

CHEMBL3779916

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COc1ccccc1C(=O)NNc1c(Cl)cccc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3779916
Phase Preclinical
Structure Type MOL
InChI Key LQIYBQDNYMXANG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

311.2
MW (Da)
3.76
ALogP
3
HBA
2
HBD
50.4
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H12Cl2N2O2
MW 311.17
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.50

Literature References

PubMed DOI Target Context # Activities
26885567 10.1021/acs.jmedchem.5b01803 Enterovirus A71 2
26885567 10.1021/acs.jmedchem.5b01803 RD 1
26885567 10.1021/acs.jmedchem.5b01803 Vero 1

Data from ChEMBL 36 via Core Engine