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Compound Detail

CHEMBL3142713

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CC#Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3142713
Phase Preclinical
Structure Type MOL
InChI Key NUOBVCABUBRVOG-IVZWLZJFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

346.2
MW (Da)
-1.33
ALogP
7
HBA
4
HBD
151.1
PSA (Ų)
0.39
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 C12H15N2O8P
MW 346.23
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 1.04

Literature References

PubMed DOI Target Context # Activities
8709123 10.1021/jm960175c NON-PROTEIN TARGET 1
8709123 10.1021/jm960175c Unchecked 1

Data from ChEMBL 36 via Core Engine