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Compound Detail

CHEMBL15082

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

Basic Information

ChEMBL ID CHEMBL15082
Phase Preclinical
Structure Type MOL
InChI Key UDRZPRJHHKTTOI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

440.6
MW (Da)
3.83
ALogP
7
HBA
0
HBD
78.9
PSA (Ų)
0.44
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 C23H28N4O3S
MW 440.57
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.15

Activity Summary

EC50 1 meas. best 7.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HEp-2
CHEMBL614735
 EC50 7.19 7.19 65.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
HEp-2 EC50 = 65.0 nM 7.19 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