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Compound Detail

CHEMBL2037274

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CN(C)CCn1c(Cn2nnc3ccccc32)nc2cc(Cl)ccc21

Basic Information

ChEMBL ID CHEMBL2037274
Phase Preclinical
Structure Type MOL
InChI Key LGVOLDZPKHBVDR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

354.9
MW (Da)
3.04
ALogP
6
HBA
0
HBD
51.8
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19ClN6
MW 354.85
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -2.50

Activity Summary

EC50 1 meas. best 7.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
EC50 7.52 7.52 30.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET EC50 = 30.0 nM 7.52 Antiviral activity against Human respiratory syncytial virus A2 ATCC VR-1540 inf... 22513121

Literature References

PubMed DOI Target Context # Activities
22513121 10.1016/j.ejmech.2012.03.038 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine