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Compound Detail

CHEMBL3763240

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CC(=O)c1sc(N/N=C/c2cc(Br)ccc2O)nc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3763240
Phase Preclinical
Structure Type MOL
InChI Key IULZEORUFRMGIW-GIDUJCDVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

354.2
MW (Da)
3.57
ALogP
6
HBA
2
HBD
74.6
PSA (Ų)
0.50
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 C13H12BrN3O2S
MW 354.23
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.87

Literature References

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

Data from ChEMBL 36 via Core Engine