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Compound Detail

CHEMBL1193456

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Cc1cccc(Nc2ncnc3c2sc2ccc([N+](=O)[O-])cc23)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1193456
Phase Preclinical
Structure Type MOL
InChI Key VRACYLKRFFVNRG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

336.4
MW (Da)
4.80
ALogP
6
HBA
1
HBD
81.0
PSA (Ų)
0.43
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 C17H12N4O2S
MW 336.38
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -2.11

Data from ChEMBL 36 via Core Engine