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Compound Detail

CHEMBL4754682

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CCC(O)Cn1cc(CN2CCc3cc4c(c(OC)c3[C@@H]2[C@H]2OC(=O)c3c2ccc(OC)c3OC)OCO4)nn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4754682
Phase Preclinical
Structure Type MOL
InChI Key FBFVZZNGXOORCS-ZCWDRPESSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

552.6
MW (Da)
2.81
ALogP
12
HBA
1
HBD
126.6
PSA (Ų)
0.39
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 C28H32N4O8
MW 552.58
Aromatic Rings 3
Heavy Atoms 40
NP-Likeness 0.34

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