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Compound Detail

CHEMBL130392

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COC(COc1[nH]c(N)nc2ncnc1-2)(OC)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL130392
Phase Preclinical
Structure Type MOL
InChI Key HGTDQLRRAUJAGC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

315.3
MW (Da)
1.41
ALogP
7
HBA
2
HBD
108.2
PSA (Ų)
0.66
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 C15H17N5O3
MW 315.33
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.35

Literature References

PubMed DOI Target Context # Activities
11063604 10.1021/jm000961o Methylated-DNA--protein-cysteine methyltransferase 2

Data from ChEMBL 36 via Core Engine