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Compound Detail

CHEMBL277534

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CC(C)CCn1c(Cn2c(=O)n(C(=O)Nc3ccccc3)c3ccccc32)nc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL277534
Phase Preclinical
Structure Type MOL
InChI Key DFPILDUYKCQGBN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

453.6
MW (Da)
5.33
ALogP
6
HBA
1
HBD
73.8
PSA (Ų)
0.38
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H27N5O2
MW 453.55
Aromatic Rings 5
Heavy Atoms 34
NP-Likeness -1.30

Activity Summary

EC50 1 meas. best 7.39

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HEp-2
CHEMBL614735
 EC50 7.39 7.39 41.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
HEp-2 EC50 = 41.0 nM 7.39 Antiviral activity against respiratory syncytial virus in HEp-2 human lung epith... 14980651

Literature References

PubMed DOI Target Context # Activities
14980651 10.1016/j.bmcl.2003.12.072 HEp-2 2
14980651 10.1016/j.bmcl.2003.12.072 ADMET 1

Data from ChEMBL 36 via Core Engine