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Compound Detail

CHEMBL560003

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CO/N=C1/C(=O)N(Cc2nc3ccccc3n2CCCCOC(C)=O)c2ccccc21

Basic Information

ChEMBL ID CHEMBL560003
Phase Preclinical
Structure Type MOL
InChI Key YDPLJYQGAMGENU-YYDJUVGSSA-N
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names

Molecular Properties

420.5
MW (Da)
3.28
ALogP
7
HBA
0
HBD
86.0
PSA (Ų)
0.32
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24N4O4
MW 420.47
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.12

Activity Summary

EC50 1 meas. best 7.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Respiratory syncytial virus
CHEMBL612679
EC50 7.52 7.52 30.0 1

Pharmacokinetic Data

Parameter Value Units Species
T1/2 0.025 hr Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19596574 10.1016/j.bmcl.2009.06.030 Respiratory syncytial virus 1
19596574 10.1016/j.bmcl.2009.06.030 ADMET 1

Data from ChEMBL 36 via Core Engine