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Compound Detail

CHEMBL461966

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CNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CN(C)CCCN)[C@@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL461966
Phase Preclinical
Structure Type MOL
InChI Key FGKVLNQCVWKBGW-IDTAVKCVSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

366.4
MW (Da)
-1.65
ALogP
11
HBA
5
HBD
160.6
PSA (Ų)
0.38
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H26N8O3
MW 366.43
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 0.16

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