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Compound Detail

CHEMBL4438154

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O=C(Nc1cccc(-c2cc3c(NC(P(=O)(O)O)P(=O)(O)O)ncnc3s2)c1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4438154
Phase Preclinical
Structure Type MOL
InChI Key TULSVKIMJXAWJV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

520.4
MW (Da)
3.66
ALogP
7
HBA
6
HBD
182.0
PSA (Ų)
0.20
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18N4O7P2S
MW 520.40
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.34

Literature References

PubMed DOI Target Context # Activities
30016091 10.1021/acs.jmedchem.8b00886 Geranylgeranyl pyrophosphate synthase 2
30016091 10.1021/acs.jmedchem.8b00886 Farnesyl pyrophosphate synthase 1
30016091 10.1021/acs.jmedchem.8b00886 RPMI-8226 1

Data from ChEMBL 36 via Core Engine