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Compound Detail

CHEMBL4116803

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O=C(NOC1CCNC1)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4116803
Phase Preclinical
Structure Type MOL
InChI Key JBMFHPNYQVHTCK-NBXIYJJMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

350.4
MW (Da)
-1.60
ALogP
7
HBA
3
HBD
137.5
PSA (Ų)
0.40
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H18N4O7S
MW 350.35
Aromatic Rings 0
Heavy Atoms 23
NP-Likeness -0.09

Data from ChEMBL 36 via Core Engine