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Compound Detail

CHEMBL2112152

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Nc1ncc([C@H]2CC[C@@H](CO)O2)c(O)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2112152
Phase Preclinical
Structure Type MOL
InChI Key QFLQFVGGIKVFFP-CAHLUQPWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

211.2
MW (Da)
-0.02
ALogP
6
HBA
3
HBD
101.5
PSA (Ų)
0.63
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 C9H13N3O3
MW 211.22
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness 0.70

Literature References

PubMed DOI Target Context # Activities
2918508 10.1021/jm00123a018 Human immunodeficiency virus 1 1
2918508 10.1021/jm00123a018 ADMET 1

Data from ChEMBL 36 via Core Engine