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Compound Detail

CHEMBL4757748

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COc1ccc(NC(=O)N[C@@H](C)c2ccccc2OC)cc1OCCCC(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4757748
Phase Preclinical
Structure Type MOL
InChI Key ZCKZFGWCYRDZLZ-KRWDZBQOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

400.5
MW (Da)
5.40
ALogP
4
HBA
2
HBD
68.8
PSA (Ų)
0.52
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H32N2O4
MW 400.52
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.09

Literature References

PubMed DOI Target Context # Activities
32482069 10.1021/acs.jmedchem.9b01033 Complement C5 1
32482069 10.1021/acs.jmedchem.9b01033 No relevant target 1

Data from ChEMBL 36 via Core Engine