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Compound Detail

CHEMBL1198697

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C#CCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=S)[C@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1198697
Phase Preclinical
Structure Type MOL
InChI Key OXAAFKZQDBSFCY-HJQYOEGKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

472.3
MW (Da)
-0.20
ALogP
11
HBA
5
HBD
189.8
PSA (Ų)
0.14
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 C13H18N2O11P2S
MW 472.31
Aromatic Rings 1
Heavy Atoms 29
NP-Likeness 0.92

Data from ChEMBL 36 via Core Engine