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Compound Detail

CHEMBL559710

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Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSC2CCNCC2)[C@@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL559710
Phase Preclinical
Structure Type MOL
InChI Key KZOQGNPMCPKYIE-SDBHATRESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

366.4
MW (Da)
-0.49
ALogP
10
HBA
4
HBD
131.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H22N6O3S
MW 366.45
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.65

Literature References

PubMed DOI Target Context # Activities
19364644 10.1016/j.bmcl.2009.03.132 DNA (cytosine-5)-methyltransferase 3B 2

Data from ChEMBL 36 via Core Engine