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Compound Detail

CHEMBL559715

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N[C@@H](CCSC[C@H]1O[C@@H](n2cnc3c(=O)[nH]cnc32)[C@H](O)[C@@H]1O)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL559715
Phase Preclinical
Structure Type MOL
InChI Key VNPWVMVYUSNFAW-WFMPWKQPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

385.4
MW (Da)
-1.73
ALogP
10
HBA
5
HBD
176.6
PSA (Ų)
0.34
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C14H19N5O6S
MW 385.40
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 0.74

Literature References

PubMed DOI Target Context # Activities
19362833 10.1016/j.bmcl.2009.03.113 DNA (cytosine-5)-methyltransferase 1 1
19362833 10.1016/j.bmcl.2009.03.113 DNA (cytosine-5)-methyltransferase 3B 1

Data from ChEMBL 36 via Core Engine