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Compound Detail

CHEMBL4541339

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CCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H]5CC(C)(C)CC[C@]5(C(=O)NCCCCCC(=O)N[C@H](C(=O)O)C(C)C)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4541339
Phase Preclinical
Structure Type MOL
InChI Key CIFPBRMAJXTXSG-TVKUTCDCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

851.3
MW (Da)
12.52
ALogP
5
HBA
3
HBD
121.8
PSA (Ų)
0.06
QED
2
Ro5 Violations
21
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C53H90N2O6
MW 851.31
Aromatic Rings 0
Heavy Atoms 61
NP-Likeness 1.61

Literature References

PubMed DOI Target Context # Activities
31617361 10.1021/acs.jnatprod.9b00649 Protease 1

Data from ChEMBL 36 via Core Engine