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Compound Detail

CHEMBL165336

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CC(=O)Nc1ccc2nc(O)n3c2c1CN(CC1CC1)[C@@H](C)C3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL165336
Phase Preclinical
Structure Type MOL
InChI Key NLMHQBRJCFRBOH-JTQLQIEISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

314.4
MW (Da)
2.31
ALogP
5
HBA
2
HBD
70.4
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H22N4O2
MW 314.39
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.90

Literature References

PubMed DOI Target Context # Activities
7877144 10.1021/jm00005a006 Human immunodeficiency virus 1 1

Data from ChEMBL 36 via Core Engine