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Compound Detail

CHEMBL235861

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O=C(NO)c1cc2ccc(Cl)cc2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL235861
Phase Preclinical
Structure Type MOL
InChI Key MJZXECAJGGBTCY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

210.6
MW (Da)
1.94
ALogP
2
HBA
3
HBD
65.1
PSA (Ų)
0.50
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 C9H7ClN2O2
MW 210.62
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -1.24

Literature References

PubMed DOI Target Context # Activities
17951059 10.1016/j.bmcl.2007.09.103 Unchecked 2

Data from ChEMBL 36 via Core Engine