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Compound Detail

CHEMBL4778340

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COc1ccc(-n2cc(CN3CCc4c(Br)c5c(c(OC)c4[C@@H]3[C@H]3OC(=O)c4c3ccc(OC)c4OC)OCO5)nn2)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4778340
Phase Preclinical
Structure Type MOL
InChI Key PMYDGHIFFZKQJA-SXOMAYOGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

695.5
MW (Da)
4.81
ALogP
13
HBA
0
HBD
124.9
PSA (Ų)
0.22
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H31BrN4O9
MW 695.52
Aromatic Rings 4
Heavy Atoms 46
NP-Likeness 0.01

Literature References

PubMed DOI Target Context # Activities
32784088 10.1016/j.bmcl.2020.127489 Tubulin beta 1
32784088 10.1016/j.bmcl.2020.127489 MCF7 1

Data from ChEMBL 36 via Core Engine