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Compound Detail

CHEMBL368650

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CC(=O)OCC1OC(n2ccc(-n3cncn3)nc2=O)CC1N=[N+]=[N-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL368650
Phase Preclinical
Structure Type MOL
InChI Key SGSTZVCBHMEELE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

346.3
MW (Da)
0.35
ALogP
10
HBA
0
HBD
149.9
PSA (Ų)
0.33
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 C13H14N8O4
MW 346.31
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.08

Literature References

PubMed DOI Target Context # Activities
9083480 10.1021/jm960596u Human immunodeficiency virus type 1 integrase 2

Data from ChEMBL 36 via Core Engine