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Compound Detail

CHEMBL1194821

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O=[N+]([O-])c1ccc2sc3c(Nc4cccc(Br)c4)ncnc3c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1194821
Phase Preclinical
Structure Type MOL
InChI Key WETDBUJWZMYYBC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

401.2
MW (Da)
5.26
ALogP
6
HBA
1
HBD
81.0
PSA (Ų)
0.37
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H9BrN4O2S
MW 401.25
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -2.05

Data from ChEMBL 36 via Core Engine