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Compound Detail

CHEMBL2374431

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C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1ccc2c(N)nccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2374431
Phase Preclinical
Structure Type MOL
InChI Key NCXCFZGPOKAAIN-FPQZTECRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

279.3
MW (Da)
-0.38
ALogP
7
HBA
4
HBD
113.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H17N3O4
MW 279.30
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 1.31

Literature References

PubMed DOI Target Context # Activities
15456273 10.1021/jm040068f Nucleic Acid 1
15456273 10.1021/jm040068f NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine