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Compound Detail

CHEMBL302081

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NC(=O)c1cn(COCCO)c2nc(N)nc(O)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL302081
Phase Preclinical
Structure Type MOL
InChI Key GHPMQUUXWCRSBD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

267.2
MW (Da)
-1.22
ALogP
8
HBA
4
HBD
149.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H13N5O4
MW 267.25
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.58

Literature References

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

Data from ChEMBL 36 via Core Engine