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Compound Detail

CHEMBL1199952

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C=CCSc1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1199952
Phase Preclinical
Structure Type MOL
InChI Key FCNUIFOCIBZHHC-QCNRFFRDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

460.3
MW (Da)
-0.63
ALogP
11
HBA
5
HBD
197.9
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 C12H18N2O11P2S
MW 460.29
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness 1.25

Data from ChEMBL 36 via Core Engine