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Compound Detail

CHEMBL195359

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COc1ccc(-c2c3c4cc5c(cc4oc(=O)c3n3ccc4cc(OC)c(OC)cc4c23)OCO5)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL195359
Phase Preclinical
Structure Type MOL
InChI Key SISVRPOTMYAYLH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

525.5
MW (Da)
5.78
ALogP
9
HBA
0
HBD
90.0
PSA (Ų)
0.26
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H23NO8
MW 525.51
Aromatic Rings 6
Heavy Atoms 39
NP-Likeness 0.73

Literature References

PubMed DOI Target Context # Activities
15916431 10.1021/jm049060w CCRF-CEM 1
15916431 10.1021/jm049060w NON-PROTEIN TARGET 1
11975488 10.1021/np0104525 HeLa 1

Data from ChEMBL 36 via Core Engine