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Compound Detail

CHEMBL485995

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

Basic Information

ChEMBL ID CHEMBL485995
Phase Preclinical
Structure Type MOL
InChI Key SRTCBBRHBVTFBF-YUQDSPFASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

570.6
MW (Da)
5.17
ALogP
9
HBA
2
HBD
130.7
PSA (Ų)
0.31
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H38N2O9
MW 570.64
Aromatic Rings 2
Heavy Atoms 41
NP-Likeness -0.05

Literature References

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

Data from ChEMBL 36 via Core Engine