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Compound Detail

CHEMBL3198396

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C=CCS/C(N)=N\N=C\c1cc(Br)cc([N+](=O)[O-])c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3198396
Phase Preclinical
Structure Type MOL
InChI Key SLHJHSKSGYFSFY-MKMNVTDBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

359.2
MW (Da)
2.63
ALogP
6
HBA
2
HBD
114.1
PSA (Ų)
0.28
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H11BrN4O3S
MW 359.21
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -1.24

Data from ChEMBL 36 via Core Engine