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Compound Detail

CHEMBL272218

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Cc1ccc(O)c(Cn2c(NC3CCN(CC(N)C(C)C)CC3)nc3c(C)ccnc32)n1

Basic Information

ChEMBL ID CHEMBL272218
Phase Preclinical
Structure Type MOL
InChI Key AVBWOONGZWBZQI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

437.6
MW (Da)
3.06
ALogP
8
HBA
3
HBD
105.1
PSA (Ų)
0.52
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 C24H35N7O
MW 437.59
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.75

Activity Summary

EC50 1 meas. best 10.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Respiratory syncytial virus
CHEMBL612679
EC50 10.0 10.0 0.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Respiratory syncytial virus EC50 = 0.1 nM 10.0 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