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Compound Detail

CHEMBL5835205

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NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(-c4cccc(N5CCOCC5)c4)nn23)[C@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5835205
Phase Preclinical
Structure Type MOL
InChI Key XLBJBOXEMPAUCP-SPRUFDBQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

504.6
MW (Da)
-0.02
ALogP
11
HBA
4
HBD
164.5
PSA (Ų)
0.34
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H28N6O6S
MW 504.57
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.92

Data from ChEMBL 36 via Core Engine