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Compound Detail

CHEMBL593947

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COc1cc(C(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL593947
Phase Preclinical
Structure Type MOL
InChI Key FFPWEIBQNVSLHR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

391.2
MW (Da)
4.45
ALogP
5
HBA
0
HBD
57.9
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15BrO5
MW 391.22
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.30

Literature References

PubMed DOI Target Context # Activities
19736015 10.1016/j.bmc.2009.08.027 L1210 1
19736015 10.1016/j.bmc.2009.08.027 FM3A 1
19736015 10.1016/j.bmc.2009.08.027 NON-PROTEIN TARGET 1
19736015 10.1016/j.bmc.2009.08.027 CCRF-CEM 1
19736015 10.1016/j.bmc.2009.08.027 HeLa 1

Data from ChEMBL 36 via Core Engine