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Compound Detail

CHEMBL3763642

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Oc1ccc(/C=N/Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3763642
Phase Preclinical
Structure Type MOL
InChI Key DZBXOLILEMYJTJ-HZHRSRAPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

371.5
MW (Da)
5.63
ALogP
5
HBA
2
HBD
57.5
PSA (Ų)
0.35
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H17N3OS
MW 371.46
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.16

Literature References

PubMed DOI Target Context # Activities
26822568 10.1016/j.bmc.2016.01.028 Unchecked 1

Data from ChEMBL 36 via Core Engine