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Compound Detail

CHEMBL468013

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CC(C)c1nc(N(c2ncnn2C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL468013
Phase Preclinical
Structure Type MOL
InChI Key XDXJFEXLMAVNBO-AQRBRUGDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

548.6
MW (Da)
2.23
ALogP
10
HBA
3
HBD
171.6
PSA (Ų)
0.32
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H29FN6O6S
MW 548.60
Aromatic Rings 3
Heavy Atoms 38
NP-Likeness -0.31

Literature References

PubMed DOI Target Context # Activities
18412317 10.1021/jm800001n No relevant target 1

Data from ChEMBL 36 via Core Engine