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Compound Detail

CHEMBL2219601

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O=S(=O)(O)c1ccc(CCCCNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2219601
Phase Preclinical
Structure Type MOL
InChI Key XULDUHFJBJUXMT-WVSUBDOOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

479.5
MW (Da)
0.12
ALogP
11
HBA
5
HBD
179.9
PSA (Ų)
0.21
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H25N5O7S
MW 479.52
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness 0.32

Data from ChEMBL 36 via Core Engine