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Compound Detail

CHEMBL4646913

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CCCCCC(=O)N[C@H](C(=O)Nc1ccc(N)cc1)c1ccc(OCc2ccccc2)cc1.O=C(O)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4646913
Phase Preclinical
Structure Type MOL
InChI Key WEKQFNSHCFBOPT-SNYZSRNZSA-N
Parent Compound CHEMBL4650910
Active Moiety CHEMBL4650910
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

445.6
MW (Da)
5.22
ALogP
4
HBA
3
HBD
93.5
PSA (Ų)
0.28
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H32F3N3O5
MW 559.59
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.86

Literature References

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

Data from ChEMBL 36 via Core Engine