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Compound Detail

CHEMBL5417022

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CC(C)(C)OC(=O)N[C@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)C(=O)NCCCC(=O)Oc1ccc2c(=O)c(Oc3ccccc3F)coc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5417022
Phase Preclinical
Structure Type MOL
InChI Key DNDJBZFXIIDGKE-MUUNZHRXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

720.8
MW (Da)
6.98
ALogP
11
HBA
2
HBD
168.7
PSA (Ų)
0.07
QED
3
Ro5 Violations
12
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C38H41FN2O11
MW 720.75
Aromatic Rings 4
Heavy Atoms 52
NP-Likeness -0.47

Literature References

PubMed DOI Target Context # Activities
38389870 10.1039/d3md00649b ATP-dependent translocase ABCB1 1

Data from ChEMBL 36 via Core Engine