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Compound Detail

CHEMBL302080

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CSc1c(C(N)=O)c2c(O)nc(N)nc2n1COC(CO)CO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL302080
Phase Preclinical
Structure Type MOL
InChI Key OGTQCEVFXKHHOI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

343.4
MW (Da)
-1.13
ALogP
10
HBA
5
HBD
169.7
PSA (Ų)
0.39
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H17N5O5S
MW 343.37
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.23

Literature References

PubMed DOI Target Context # Activities
2165163 10.1021/jm00170a019 Human immunodeficiency virus 1

Data from ChEMBL 36 via Core Engine