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Compound Detail

CHEMBL3763845

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COc1cc(/C=N/Nc2nc(-c3ccc(Br)cc3)cs2)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3763845
Phase Preclinical
Structure Type MOL
InChI Key LRFGGRBSEBBYMH-UFFVCSGVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

448.3
MW (Da)
5.04
ALogP
7
HBA
1
HBD
65.0
PSA (Ų)
0.41
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C19H18BrN3O3S
MW 448.34
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.40

Literature References

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

Data from ChEMBL 36 via Core Engine