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Compound Detail

CHEMBL355449

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Cc1ncc2nc(O)n3c2c1CN(CC1CC1)C(C)C3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL355449
Phase Preclinical
Structure Type MOL
InChI Key KAJWQPKJRJKZPJ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

272.4
MW (Da)
2.06
ALogP
5
HBA
1
HBD
54.2
PSA (Ų)
0.91
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 C15H20N4O
MW 272.35
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.52

Activity Summary

IC50 1 meas.

Literature References

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

Data from ChEMBL 36 via Core Engine