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Compound Detail

CHEMBL146199

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O=c1ccn([C@H]2C[C@H](NO)[C@@H](CO)O2)c(=O)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL146199
Phase Preclinical
Structure Type MOL
InChI Key QXZIZKYHYOXXCF-SHYZEUOFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

243.2
MW (Da)
-1.84
ALogP
7
HBA
4
HBD
116.6
PSA (Ų)
0.46
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H13N3O5
MW 243.22
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness 0.81

Literature References

PubMed DOI Target Context # Activities
9836625 10.1021/jm980466g L1210 1
9836625 10.1021/jm980466g KB 1

Data from ChEMBL 36 via Core Engine