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Compound Detail

CHEMBL4079020

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O=P(O)(O)CNc1ncnc2sccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4079020
Phase Preclinical
Structure Type MOL
InChI Key YANLMWJHELNBGL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

245.2
MW (Da)
1.24
ALogP
5
HBA
3
HBD
95.3
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H8N3O3PS
MW 245.20
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -1.63

Literature References

PubMed DOI Target Context # Activities
28208018 10.1021/acs.jmedchem.6b01888 Farnesyl pyrophosphate synthase 2

Data from ChEMBL 36 via Core Engine