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Compound Detail

CHEMBL5499406

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O=C1C=C(Nc2ccccc2C2CCNCC2)C2=NS(=O)(=O)c3cccc1c32
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5499406
Phase Preclinical
Structure Type MOL
InChI Key HVNZCTNSWDXVPH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

393.5
MW (Da)
2.84
ALogP
5
HBA
2
HBD
87.6
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19N3O3S
MW 393.47
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.20

Data from ChEMBL 36 via Core Engine