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Compound Detail

CHEMBL3764492

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Oc1ccc(Br)cc1/C=N/Nc1nccs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3764492
Phase Preclinical
Structure Type MOL
InChI Key OKZIDZZTEGNICL-AWNIVKPZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

298.2
MW (Da)
3.06
ALogP
5
HBA
2
HBD
57.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H8BrN3OS
MW 298.17
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -1.93

Literature References

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

Data from ChEMBL 36 via Core Engine