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Compound Detail

CHEMBL338451

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CCCCCCOc1[nH]c(N)nc2ncnc1-2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL338451
Phase Preclinical
Structure Type MOL
InChI Key SDINAMBPZFEEIO-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

235.3
MW (Da)
1.85
ALogP
5
HBA
2
HBD
89.7
PSA (Ų)
0.75
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 C11H17N5O
MW 235.29
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness -0.25

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
11063604 10.1021/jm000961o Methylated-DNA--protein-cysteine methyltransferase 3

Data from ChEMBL 36 via Core Engine