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Compound Detail

CHEMBL5407572

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N#C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5407572
Phase Preclinical
Structure Type MOL
InChI Key INGNXEWOKOIRQS-IHRRRGAJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

402.4
MW (Da)
1.54
ALogP
4
HBA
3
HBD
111.1
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H25F3N4O3
MW 402.42
Aromatic Rings 0
Heavy Atoms 28
NP-Likeness -0.13

Literature References

PubMed DOI Target Context # Activities
37561993 10.1021/acs.jmedchem.3c00221 Replicase polyprotein 1ab 1

Data from ChEMBL 36 via Core Engine