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Compound Detail

CHEMBL4514446

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CC(Cn1cnc2ccccc21)(C(=O)O)P(=O)(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4514446
Phase Preclinical
Structure Type MOL
InChI Key QUDUQQDLBUPHAQ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

284.2
MW (Da)
1.06
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 C11H13N2O5P
MW 284.21
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.72

Activity Summary

IC50 1 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