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Compound Detail

CHEMBL4458924

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C[C@H](NC(=O)CCCCCNC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](OC(=O)c5ccccc5)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4458924
Phase Preclinical
Structure Type MOL
InChI Key FNVCRNRCEAQMPR-WQGIUURXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

745.1
MW (Da)
9.28
ALogP
5
HBA
3
HBD
121.8
PSA (Ų)
0.12
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C46H68N2O6
MW 745.06
Aromatic Rings 1
Heavy Atoms 54
NP-Likeness 1.73

Literature References

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

Data from ChEMBL 36 via Core Engine