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Compound Detail

CHEMBL3765282

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COc1cc(/C=N/Nc2nccs2)cc(Br)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3765282
Phase Preclinical
Structure Type MOL
InChI Key HZZZMYNJCUUSPE-MKMNVTDBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

328.2
MW (Da)
3.07
ALogP
6
HBA
2
HBD
66.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H10BrN3O2S
MW 328.19
Aromatic Rings 2
Heavy Atoms 18
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