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Compound Detail

CHEMBL3397598

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O=c1[nH]c2ccc(-c3cccnc3)cc2o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3397598
Phase Preclinical
Structure Type MOL
InChI Key OBEWNLOOSJLZIO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

212.2
MW (Da)
2.18
ALogP
3
HBA
1
HBD
58.9
PSA (Ų)
0.67
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 C12H8N2O2
MW 212.21
Aromatic Rings 3
Heavy Atoms 16
NP-Likeness -0.93

Literature References

PubMed DOI Target Context # Activities
25528333 10.1016/j.ejmech.2014.12.022 Cytochrome P450 11B2, mitochondrial 2
25528333 10.1016/j.ejmech.2014.12.022 Cytochrome P450 11B1, mitochondrial 1
25528333 10.1016/j.ejmech.2014.12.022 Unchecked 1

Data from ChEMBL 36 via Core Engine