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Compound Detail

CHEMBL2382419

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O=C(Nc1nc2ccccc2c(=O)s1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2382419
Phase Preclinical
Structure Type MOL
InChI Key PYYJAZBGJGONRC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

282.3
MW (Da)
2.91
ALogP
4
HBA
1
HBD
59.1
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H10N2O2S
MW 282.32
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.48

Literature References

PubMed DOI Target Context # Activities
23631427 10.1021/jm400336x Amine oxidase [flavin-containing] B 2
23631427 10.1021/jm400336x Unchecked 1

Data from ChEMBL 36 via Core Engine