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Compound Detail

CHEMBL3143586

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Nc1n[nH]c(=O)c2c1ccn2[C@H]1C[C@H](O)[C@@H](CO)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3143586
Phase Preclinical
Structure Type MOL
InChI Key JTZFHXFGMOLRLE-XLPZGREQSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

266.3
MW (Da)
-1.05
ALogP
7
HBA
4
HBD
126.4
PSA (Ų)
0.55
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 C11H14N4O4
MW 266.26
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.63

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
9057866 10.1021/jm960631x HFF 2
9057866 10.1021/jm960631x KB 2
9057866 10.1021/jm960631x L1210 1

Data from ChEMBL 36 via Core Engine