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Compound Detail

CHEMBL22435

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O=C(O)c1cc2cc(Br)ccc2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL22435
Phase Preclinical
Structure Type MOL
InChI Key YAULOOYNCJDPPU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

240.1
MW (Da)
2.63
ALogP
1
HBA
2
HBD
53.1
PSA (Ų)
0.80
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 C9H6BrNO2
MW 240.06
Aromatic Rings 2
Heavy Atoms 13
NP-Likeness -0.77

Literature References

PubMed DOI Target Context # Activities
1849994 10.1021/jm00108a007 Glutamate NMDA receptor 1
15115392 10.1021/jm0305117 NS3 1

Data from ChEMBL 36 via Core Engine