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Compound Detail

CHEMBL87695

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COc1cc(C(=O)c2c(N)ccc(OC)c2OC)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL87695
Phase Preclinical
Structure Type MOL
InChI Key DNSZUBSUYDHDGG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

347.4
MW (Da)
2.54
ALogP
7
HBA
1
HBD
89.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H21NO6
MW 347.37
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.15

Literature References

PubMed DOI Target Context # Activities
12036364 10.1021/jm010365+ Molecular identity unknown 2
12036364 10.1021/jm010365+ MES-SA/Dx5 2
12036364 10.1021/jm010365+ COLO 205 1
12036364 10.1021/jm010365+ HA22T cell line 1
12036364 10.1021/jm010365+ DLD-1 1
12036364 10.1021/jm010365+ MCF7 1
12036364 10.1021/jm010365+ DU-145 1
12036364 10.1021/jm010365+ HONE1 cell line 1

Data from ChEMBL 36 via Core Engine