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Compound Detail

CHEMBL4520739

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COC(=O)N1CC2(C1)C(=O)N(Cc1ncc3cc(C)ccc3c1-c1cncnc1)c1ccccc12

Basic Information

ChEMBL ID CHEMBL4520739
Phase Preclinical
Structure Type MOL
InChI Key ZZZOKDMAKWPSMB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

465.5
MW (Da)
3.87
ALogP
6
HBA
0
HBD
88.5
PSA (Ų)
0.46
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H23N5O3
MW 465.51
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -0.54

Activity Summary

EC50 1 meas. best 9.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Respiratory syncytial virus
CHEMBL612679
EC50 9.7 9.7 0.2 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

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

Data from ChEMBL 36 via Core Engine