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Compound Detail

CHEMBL242456

JNJ 2408068
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Cc1ccc(O)c(Cn2c(NC3CCN(CCN)CC3)nc3c(C)cccc32)n1

Basic Information

ChEMBL ID CHEMBL242456
Name JNJ 2408068
Phase Preclinical
Structure Type MOL
InChI Key RDQSNNMSDOHAPG-UHFFFAOYSA-N

Known Names

R-170591
2
Targets
4
Activities
1
Assay Types
1
PK Parameters
8
Publications
1
Known Names

Molecular Properties

394.5
MW (Da)
2.64
ALogP
7
HBA
3
HBD
92.2
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H30N6O
MW 394.52
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.02

Activity Summary

EC50 4 meas. best 9.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fusion glycoprotein F0
CHEMBL2364165
EC50 9.8 9.8 0.2 1
Respiratory syncytial virus
CHEMBL612679
EC50 9.8 9.6667 0.2 3

Pharmacokinetic Data

Parameter Value Units Species
T1/2 153.0 hr Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17722899 10.1021/jm070143x Lung 5
17722899 10.1021/jm070143x Plasma 2
- 10.1007/s00044-010-9533-9 Respiratory syncytial virus 2
17722899 10.1021/jm070143x Respiratory syncytial virus 1
17722899 10.1021/jm070143x ADMET 1
18254606 10.1021/jm701284j Respiratory syncytial virus 1
18254606 10.1021/jm701284j NON-PROTEIN TARGET 1
30339388 10.1021/acs.jmedchem.8b01394 Fusion glycoprotein F0 1

Data from ChEMBL 36 via Core Engine