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Compound Detail

CHEMBL5560400

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O=c1ccc2c(Nc3ccc(CCP(=O)(O)O)cc3)ncnc2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5560400
Phase Preclinical
Structure Type MOL
InChI Key SWXZKJBJIXFZKB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

346.3
MW (Da)
1.78
ALogP
5
HBA
4
HBD
128.2
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H15N4O4P
MW 346.28
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.52

Literature References

PubMed DOI Target Context # Activities
38387074 10.1021/acs.jmedchem.3c02288 Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 1

Data from ChEMBL 36 via Core Engine