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Compound Detail

CHEMBL4522047

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COc1cc(C(=O)NC[C@@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)NC[C@@]3(C)N)C(F)(F)F)ccc1OCCO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4522047
Phase Preclinical
Structure Type MOL
InChI Key QOOACNYSVGAWOH-CLJLJLNGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

564.5
MW (Da)
3.05
ALogP
8
HBA
5
HBD
139.0
PSA (Ų)
0.25
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H28F4N4O5
MW 564.54
Aromatic Rings 3
Heavy Atoms 40
NP-Likeness -0.52

Literature References

PubMed DOI Target Context # Activities
30411898 10.1021/acs.jmedchem.8b01361 Respiratory syncytial virus 1
30411898 10.1021/acs.jmedchem.8b01361 Unchecked 1

Data from ChEMBL 36 via Core Engine