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Compound Detail

CHEMBL3765364

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COc1ccc(/C=N/Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3765364
Phase Preclinical
Structure Type MOL
InChI Key WEOPZYGNYPSDHN-BUVRLJJBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

401.5
MW (Da)
5.64
ALogP
6
HBA
2
HBD
66.7
PSA (Ų)
0.32
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H19N3O2S
MW 401.49
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.97

Literature References

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

Data from ChEMBL 36 via Core Engine