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Compound Detail

CHEMBL4442641

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N=C(N)NCCC[C@H](N[C@@H](c1ccccc1)C(F)(F)F)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(N)=O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4442641
Phase Preclinical
Structure Type MOL
InChI Key LAIPNCDQLCEGRA-GPJHCHHRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

592.7
MW (Da)
1.47
ALogP
6
HBA
8
HBD
201.2
PSA (Ų)
0.08
QED
2
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H39F3N8O3
MW 592.67
Aromatic Rings 2
Heavy Atoms 42
NP-Likeness -0.22

Literature References

PubMed DOI Target Context # Activities
31176698 10.1016/j.bmcl.2019.05.054 Genome polyprotein 4
31176698 10.1016/j.bmcl.2019.05.054 Prothrombin 1
31176698 10.1016/j.bmcl.2019.05.054 Trypsin 1

Data from ChEMBL 36 via Core Engine