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Compound Detail

CHEMBL2078859

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O=C(NCCSCC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O)Nc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2078859
Phase Preclinical
Structure Type MOL
InChI Key JSCAOTSHQFRXCZ-KBXIAJHMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

355.5
MW (Da)
-0.01
ALogP
6
HBA
6
HBD
113.8
PSA (Ų)
0.38
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H25N3O4S
MW 355.46
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.35

Data from ChEMBL 36 via Core Engine