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Compound Detail

CHEMBL304978

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COC1CC(n2cnc3c(N)ncnc32)C(O)C1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL304978
Phase Preclinical
Structure Type MOL
InChI Key APGYVGQPWCWWAU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

265.3
MW (Da)
-0.91
ALogP
8
HBA
3
HBD
119.3
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H15N5O3
MW 265.27
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 1.18

Literature References

PubMed DOI Target Context # Activities
9622558 10.1021/jm980038a Hepatoblastoma cell line 3

Data from ChEMBL 36 via Core Engine