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Compound Detail

CHEMBL446887

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CCCCCCCCCCCCCCCC=C(c1cc(Br)c(OC)c(C(=O)OC)c1)c1cc(Br)c(OC)c(C(=O)OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL446887
Phase Preclinical
Structure Type MOL
InChI Key CSUAFRNYIATCPR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

724.6
MW (Da)
10.71
ALogP
6
HBA
0
HBD
71.1
PSA (Ų)
0.10
QED
2
Ro5 Violations
20
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H48Br2O6
MW 724.57
Aromatic Rings 2
Heavy Atoms 43
NP-Likeness 0.26

Literature References

PubMed DOI Target Context # Activities
8759644 10.1021/jm960082v CCRF-CEM 2

Data from ChEMBL 36 via Core Engine