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Compound Detail

CHEMBL270053

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Cc1ccc(O)c(Cn2c(NC3CCN(C)CC3)nc3ccc(CNc4ccccc4)cc32)n1

Basic Information

ChEMBL ID CHEMBL270053
Phase Preclinical
Structure Type MOL
InChI Key GHRWSJSUKAHIMH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

456.6
MW (Da)
4.61
ALogP
7
HBA
3
HBD
78.2
PSA (Ų)
0.38
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H32N6O
MW 456.59
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.08

Activity Summary

EC50 1 meas. best 7.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Respiratory syncytial virus
CHEMBL612679
EC50 7.8 7.8 15.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Respiratory syncytial virus EC50 = 15.85 nM 7.8 Inhibition of RSV by MTT assay 18254606

Literature References

PubMed DOI Target Context # Activities
18254606 10.1021/jm701284j Respiratory syncytial virus 1
18254606 10.1021/jm701284j NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine