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Compound Detail

CHEMBL58891

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

Basic Information

ChEMBL ID CHEMBL58891
Phase Preclinical
Structure Type MOL
InChI Key KVRUGZHZGPEWCE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

339.3
MW (Da)
-0.40
ALogP
8
HBA
2
HBD
159.4
PSA (Ų)
0.31
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H17N5O6
MW 339.31
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 0.68

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