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Compound Detail

CHEMBL300607

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[N-]=[N+]=NC1CC(n2cc(CCC(=O)NCCCCN)c(=O)[nH]c2=O)OC1CO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL300607
Phase Preclinical
Structure Type MOL
InChI Key ILSUSIIBPRNDDX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

395.4
MW (Da)
-0.72
ALogP
8
HBA
4
HBD
188.2
PSA (Ų)
0.17
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H25N7O5
MW 395.42
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness 0.32

Literature References

PubMed DOI Target Context # Activities
10821705 10.1021/jm991125l ADMET 3
10821705 10.1021/jm991125l Human immunodeficiency virus type 1 reverse transcriptase 2
10821705 10.1021/jm991125l MT4 2

Data from ChEMBL 36 via Core Engine