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Compound Detail

CHEMBL106780

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CCOC(=O)c1c(-c2ccccc2)nc2ccccn12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL106780
Phase Preclinical
Structure Type MOL
InChI Key XFGHRPOEPNBKEM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

266.3
MW (Da)
3.18
ALogP
4
HBA
0
HBD
43.6
PSA (Ų)
0.68
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 C16H14N2O2
MW 266.30
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.67

Literature References

PubMed DOI Target Context # Activities
22391032 10.1016/j.bmc.2012.02.025 Mycobacterium tuberculosis 2
9301675 10.1021/jm970112+ GABA-A receptor; anion channel 1
9301675 10.1021/jm970112+ Translocator protein 1

Data from ChEMBL 36 via Core Engine