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Compound Detail

CHEMBL4208480

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CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(CNc4cccc(F)c4)O[C@H](C4=CCOC4=O)C[C@H]32)[C@]1(C)COC(c1ccccc1)(c1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4208480
Phase Preclinical
Structure Type MOL
InChI Key VLAWWRACNHXMNK-VXNBVMBESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

743.9
MW (Da)
9.02
ALogP
7
HBA
1
HBD
83.1
PSA (Ų)
0.12
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C47H50FNO6
MW 743.92
Aromatic Rings 4
Heavy Atoms 55
NP-Likeness 1.10

Literature References

PubMed DOI Target Context # Activities
28755636 10.1016/j.ejmech.2017.07.035 HT-29 1
28755636 10.1016/j.ejmech.2017.07.035 KB 1
28755636 10.1016/j.ejmech.2017.07.035 P388 1
28755636 10.1016/j.ejmech.2017.07.035 MCF7 1
28755636 10.1016/j.ejmech.2017.07.035 A549 1
28755636 10.1016/j.ejmech.2017.07.035 Unchecked 1

Data from ChEMBL 36 via Core Engine