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Compound Detail

CHEMBL261311

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O=P(O)(O)CCc1cccnc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL261311
Phase Preclinical
Structure Type MOL
InChI Key VHGPDNZJZXWUDY-UHFFFAOYSA-N
0
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

187.1
MW (Da)
0.80
ALogP
2
HBA
2
HBD
70.4
PSA (Ų)
0.69
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 C7H10NO3P
MW 187.13
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness -0.37

Activity Summary

IC50 1 meas.
Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
18327899 10.1021/jm7015733 Farnesyl pyrophosphate synthase 4
24911527 10.1021/jm500629e Farnesyl pyrophosphate synthase 2
32631543 10.1016/j.bmcl.2020.127342 Low molecular weight phosphotyrosine protein phosphatase 2
24911527 10.1021/jm500629e ADMET 1
32631543 10.1016/j.bmcl.2020.127342 Unchecked 1

Data from ChEMBL 36 via Core Engine