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Compound Detail

CHEMBL3746092

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COc1cc(C(=O)c2cc3cccc(NC(=O)CI)c3o2)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3746092
Phase Preclinical
Structure Type MOL
InChI Key MDQGHHOWYANHLN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

495.3
MW (Da)
4.06
ALogP
6
HBA
1
HBD
87.0
PSA (Ų)
0.30
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 C20H18INO6
MW 495.27
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.43

Literature References

PubMed DOI Target Context # Activities
26629859 10.1016/j.ejmech.2015.11.022 K562 2

Data from ChEMBL 36 via Core Engine