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Compound Detail

CHEMBL447074

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COc1ccc(/C=C\c2cc(OC)c3c(c2)OCO3)cc1NC(=O)[C@H](Cc1ccc(OP(=O)(OCc2ccccc2)OCc2ccccc2)cc1)NC(=O)OCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL447074
Phase Preclinical
Structure Type MOL
InChI Key PJSNFQPMJZVUGG-UYFYKNIUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

856.9
MW (Da)
10.00
ALogP
11
HBA
2
HBD
149.1
PSA (Ų)
0.06
QED
3
Ro5 Violations
19
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C48H45N2O11P
MW 856.87
Aromatic Rings 6
Heavy Atoms 62
NP-Likeness -0.02

Literature References

PubMed DOI Target Context # Activities
16124759 10.1021/np058033l P388 1
16124759 10.1021/np058033l BXPC-3 1
16124759 10.1021/np058033l SF-295 1
16124759 10.1021/np058033l NCI-H460 1
16124759 10.1021/np058033l KM-20L2 1
16124759 10.1021/np058033l DU-145 1
16124759 10.1021/np058033l MCF7 1
16124759 10.1021/np058033l Enterococcus faecalis 1

Data from ChEMBL 36 via Core Engine