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Compound Detail

CHEMBL4093973

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Cc1ccc(-c2sc3ncncc3c2CP(=O)(O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4093973
Phase Preclinical
Structure Type MOL
InChI Key YOCFRXSVLBRCJU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

320.3
MW (Da)
3.34
ALogP
4
HBA
2
HBD
83.3
PSA (Ų)
0.72
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 C14H13N2O3PS
MW 320.31
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.99

Literature References

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

Data from ChEMBL 36 via Core Engine