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Compound Detail

CHEMBL486184

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

Basic Information

ChEMBL ID CHEMBL486184
Phase Preclinical
Structure Type MOL
InChI Key WXEHVGISBLCNOD-XQQSMPNESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

542.5
MW (Da)
3.58
ALogP
8
HBA
4
HBD
158.8
PSA (Ų)
0.22
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H27N2O9P
MW 542.48
Aromatic Rings 3
Heavy Atoms 38
NP-Likeness 0.40

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 Neisseria gonorrhoeae 1
16124759 10.1021/np058033l Enterococcus faecalis 1

Data from ChEMBL 36 via Core Engine