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Compound Detail

CHEMBL4870974

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CCOP(=O)(/C=C/C(NC(=O)[C@H](CO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3)NC(=O)OCc1ccccc1)c1ccccc1)OCC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4870974
Phase Preclinical
Structure Type MOL
InChI Key QRSNFCBGLDWPJL-ZYENLXRASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

756.8
MW (Da)
7.14
ALogP
11
HBA
2
HBD
149.1
PSA (Ų)
0.14
QED
3
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C39H53N2O11P
MW 756.83
Aromatic Rings 2
Heavy Atoms 53
NP-Likeness 1.39

Literature References

PubMed DOI Target Context # Activities
33901900 10.1016/j.ejmech.2021.113454 Cysteine protease falcipain-2 2

Data from ChEMBL 36 via Core Engine