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Compound Detail

CHEMBL4564870

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O=C(O)C(Cn1cnc2cc(F)c(F)cc21)P(=O)(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4564870
Phase Preclinical
Structure Type MOL
InChI Key XWMOZTADYNUFHE-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

306.2
MW (Da)
0.95
ALogP
4
HBA
3
HBD
112.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H9F2N2O5P
MW 306.16
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.02

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
31699606 10.1016/j.bmcl.2019.126757 Geranylgeranyl transferase type-2 3
31699606 10.1016/j.bmcl.2019.126757 Farnesyl pyrophosphate synthase 3
31699606 10.1016/j.bmcl.2019.126757 Geranylgeranyl pyrophosphate synthase 1
31699606 10.1016/j.bmcl.2019.126757 Protein farnesyltransferase 1
31699606 10.1016/j.bmcl.2019.126757 geranylgeranyltransferase type-I 1

Data from ChEMBL 36 via Core Engine