Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL271841

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Cc1cccc(NCc2ccc3nc(NC4CCN(CCO)CC4)n(Cc4nc(C)ccc4O)c3c2)c1

Basic Information

ChEMBL ID CHEMBL271841
Phase Preclinical
Structure Type MOL
InChI Key NOJNULSFUCPSJN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names

Molecular Properties

500.6
MW (Da)
4.28
ALogP
8
HBA
4
HBD
98.5
PSA (Ų)
0.27
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H36N6O2
MW 500.65
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -1.29

Activity Summary

EC50 1 meas. best 8.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Respiratory syncytial virus
CHEMBL612679
EC50 8.8 8.8 1.6 1

Pharmacokinetic Data

Parameter Value Units Species
T1/2 67.7 hr Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Respiratory syncytial virus EC50 = 1.585 nM 8.8 Inhibition of RSV by MTT assay 18254606

Literature References

PubMed DOI Target Context # Activities
18254606 10.1021/jm701284j Respiratory syncytial virus 1
18254606 10.1021/jm701284j NON-PROTEIN TARGET 1
18254606 10.1021/jm701284j Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine