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

CHEMBL3410415

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
Cc1[nH]c2cc([C@@H]3CCCCN3C(=O)c3ccccc3N)nn2c(=O)c1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3410415
Phase Preclinical
Structure Type MOL
InChI Key KUJXGHTZZMMXBF-KRWDZBQOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

365.4
MW (Da)
2.59
ALogP
5
HBA
2
HBD
96.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23N5O2
MW 365.44
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.04

Activity Summary

EC50 1 meas. best 6.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Respiratory syncytial virus
CHEMBL612679
 EC50 6.48 6.48 331.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Respiratory syncytial virus EC50 = 331.0 nM 6.48 Antiviral activity against Respiratory syncytial virus A2 infected in human Hep2... 25574686

Literature References

PubMed DOI Target Context # Activities
25574686 10.1021/jm5017768 ADMET 3
25574686 10.1021/jm5017768 Respiratory syncytial virus 1
25574686 10.1021/jm5017768 No relevant target 1
25574686 10.1021/jm5017768 MT4 1

Data from ChEMBL 36 via Core Engine