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Compound Detail

CHEMBL335923

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O=C1c2cccnc2CN1c1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL335923
Phase Preclinical
Structure Type MOL
InChI Key HXTBNLNDSFTAAQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

244.7
MW (Da)
2.90
ALogP
2
HBA
0
HBD
33.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H9ClN2O
MW 244.68
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -1.33

Literature References

PubMed DOI Target Context # Activities
8863805 10.1021/jm960325j Translocator protein 1
8863805 10.1021/jm960325j GABA-A receptor; anion channel 1
34254805 10.1021/acs.jmedchem.1c00379 Unchecked 1
34254805 10.1021/acs.jmedchem.1c00379 Translocator protein 1

Data from ChEMBL 36 via Core Engine