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Compound Detail

CHEMBL1257088

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Nc1nc(=O)c2ncn(COCCOP3(=O)OCc4ccccc4O3)c2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1257088
Phase Preclinical
Structure Type MOL
InChI Key QTGJXXZGGXPMPV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

393.3
MW (Da)
1.41
ALogP
10
HBA
2
HBD
143.6
PSA (Ų)
0.47
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 C15H16N5O6P
MW 393.30
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.32

Literature References

PubMed DOI Target Context # Activities
18285481 10.1128/aac.01241-07 BK polyomavirus 1
18285481 10.1128/aac.01241-07 ADMET 1
18285481 10.1128/aac.01241-07 Unchecked 1

Data from ChEMBL 36 via Core Engine