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Compound Detail

CHEMBL460737

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CN(CCCN)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL460737
Phase Preclinical
Structure Type MOL
InChI Key ZWARZXYMPMVECQ-IDTAVKCVSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

337.4
MW (Da)
-1.69
ALogP
10
HBA
4
HBD
148.6
PSA (Ų)
0.48
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 C14H23N7O3
MW 337.38
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.53

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
19209891 10.1021/jm801126a S-adenosylmethionine decarboxylase proenzyme 1

Data from ChEMBL 36 via Core Engine