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Compound Detail

CHEMBL4278596

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COc1ccc([C@H]2/C(=C/c3ccc(C(C)(C)C)cc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4278596
Phase Preclinical
Structure Type MOL
InChI Key JBGANFUTCHXYIC-AARISIMOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

503.6
MW (Da)
5.90
ALogP
6
HBA
1
HBD
77.5
PSA (Ų)
0.32
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H33NO6
MW 503.60
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -0.13

Literature References

PubMed DOI Target Context # Activities
29306206 10.1016/j.ejmech.2017.12.004 A2780 1
29306206 10.1016/j.ejmech.2017.12.004 MDA-MB-231 1
29306206 10.1016/j.ejmech.2017.12.004 SK-OV-3 1
29306206 10.1016/j.ejmech.2017.12.004 HeLa 1

Data from ChEMBL 36 via Core Engine