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Compound Detail

CHEMBL300582

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OC[C@@H]1O[C@@H](n2cnc3c(O)ncnc32)CS1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL300582
Phase Preclinical
Structure Type MOL
InChI Key NWAMVXFWUIMGLW-PHDIDXHHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

254.3
MW (Da)
0.11
ALogP
8
HBA
2
HBD
93.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H10N4O3S
MW 254.27
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness 0.80

Literature References

PubMed DOI Target Context # Activities
8423591 10.1021/jm00054a001 Human immunodeficiency virus 1 2
8423591 10.1021/jm00054a001 Human immunodeficiency virus 1

Data from ChEMBL 36 via Core Engine