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Compound Detail

CHEMBL3947534

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Nc1ccn([C@H]2C[C@@H](OCP(=O)(O)O)CO2)c(=O)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3947534
Phase Preclinical
Structure Type MOL
InChI Key IHIBPELLLRVCJS-HTRCEHHLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

291.2
MW (Da)
-0.74
ALogP
7
HBA
3
HBD
136.9
PSA (Ų)
0.62
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 C9H14N3O6P
MW 291.20
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 0.74

Literature References

PubMed DOI Target Context # Activities
27748590 10.1021/acs.jmedchem.6b01260 NON-PROTEIN TARGET 6

Data from ChEMBL 36 via Core Engine