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Compound Detail

CHEMBL57313

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COC(=O)CCCNC(=O)CCc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL57313
Phase Preclinical
Structure Type MOL
InChI Key YFHYVULTUZUOSN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

424.4
MW (Da)
-0.50
ALogP
9
HBA
3
HBD
188.5
PSA (Ų)
0.15
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 C17H24N6O7
MW 424.41
Aromatic Rings 1
Heavy Atoms 30
NP-Likeness 0.23

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