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Compound Detail

CHEMBL4634164

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CCCCCC(=O)N[C@H](C(=O)NCc1ccccc1)c1ccc(OCc2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4634164
Phase Preclinical
Structure Type MOL
InChI Key MURRWDAMHJKELB-MHZLTWQESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

444.6
MW (Da)
5.32
ALogP
3
HBA
2
HBD
67.4
PSA (Ų)
0.37
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H32N2O3
MW 444.58
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.79

Literature References

PubMed DOI Target Context # Activities
32605372 10.1021/acs.jmedchem.0c00413 Genome polyprotein 6
33851839 10.1021/acs.jmedchem.0c02042 Genome polyprotein 2
32605372 10.1021/acs.jmedchem.0c00413 HeLa 1
32605372 10.1021/acs.jmedchem.0c00413 Trypsin 1
32605372 10.1021/acs.jmedchem.0c00413 Prothrombin 1
33851839 10.1021/acs.jmedchem.0c02042 HeLa 1
33851839 10.1021/acs.jmedchem.0c02042 Prothrombin 1
33851839 10.1021/acs.jmedchem.0c02042 Trypsin 1

Data from ChEMBL 36 via Core Engine