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Compound Detail

CHEMBL165138

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CC(C)C1CNCc2cccc3nc(O)n1c23
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL165138
Phase Preclinical
Structure Type MOL
InChI Key HNFAUAOCKVOEJQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

231.3
MW (Da)
2.04
ALogP
4
HBA
2
HBD
50.1
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H17N3O
MW 231.30
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.14

Literature References

PubMed DOI Target Context # Activities
7877143 10.1021/jm00005a005 Human immunodeficiency virus 1 1

Data from ChEMBL 36 via Core Engine