Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL2088342

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
O=C(Nc1ccc(-c2cncc(NC(P(=O)(O)O)P(=O)(O)O)c2)cc1)C1CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2088342
Phase Preclinical
Structure Type MOL
InChI Key VDTFOUMZKMJVQU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

427.3
MW (Da)
2.15
ALogP
5
HBA
6
HBD
169.1
PSA (Ų)
0.36
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H19N3O7P2
MW 427.29
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.09

Literature References

PubMed DOI Target Context # Activities
22884353 10.1016/j.bmc.2012.07.019 Farnesyl pyrophosphate synthase 2
22884353 10.1016/j.bmc.2012.07.019 Geranylgeranyl pyrophosphate synthase 1

Data from ChEMBL 36 via Core Engine