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Compound Detail

CHEMBL610318

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C[C@]1(O)C(n2cnc3c(NC4CC4)ncnc32)O[C@H](CO)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL610318
Phase Preclinical
Structure Type MOL
InChI Key CEYIFJLRRGMGQU-PPKKVWBLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

321.3
MW (Da)
-0.60
ALogP
9
HBA
4
HBD
125.5
PSA (Ų)
0.59
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 C14H19N5O4
MW 321.34
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.80

Literature References

PubMed DOI Target Context # Activities
16033277 10.1021/jm048944c K562 2
16033277 10.1021/jm048944c HT-29 1
16033277 10.1021/jm048944c MCF7 1

Data from ChEMBL 36 via Core Engine