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Compound Detail

CHEMBL1194507

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O=C(O)Cc1csc(NCc2cc([N+](=O)[O-])cc3nc(O)c(O)nc23)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1194507
Phase Preclinical
Structure Type MOL
InChI Key KHUWRUMPEUPKFM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

377.3
MW (Da)
1.64
ALogP
10
HBA
4
HBD
171.6
PSA (Ų)
0.37
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H11N5O6S
MW 377.34
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.62

Data from ChEMBL 36 via Core Engine