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Compound Detail

CHEMBL1195995

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Cc1nccn1-c1cccc(OCCOS(N)(=O)=O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1195995
Phase Preclinical
Structure Type MOL
InChI Key RDBUEPSUJCWJAH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

297.3
MW (Da)
0.78
ALogP
6
HBA
1
HBD
96.4
PSA (Ų)
0.79
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 C12H15N3O4S
MW 297.34
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.82

Data from ChEMBL 36 via Core Engine