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Compound Detail

CHEMBL472730

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CCc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CN(C)CCCN)[C@@H](O)[C@H]1O.O=S(=O)(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL472730
Phase Preclinical
Structure Type MOL
InChI Key YSCQMQUHPFPXSL-FBQFTBNBSA-N
Parent Compound CHEMBL1186611
Active Moiety CHEMBL1186611
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

365.4
MW (Da)
-1.13
ALogP
10
HBA
4
HBD
148.6
PSA (Ų)
0.48
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H29N7O7S
MW 463.52
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.02

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