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

CHEMBL575618

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
NCCCC[C@H](N)C(=O)Nc1cccc(-c2ccc(NC(=O)Nc3nc4ccccc4s3)nc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL575618
Phase Preclinical
Structure Type MOL
InChI Key TWSPGUBATYACRD-IBGZPJMESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

489.6
MW (Da)
4.40
ALogP
7
HBA
5
HBD
148.1
PSA (Ų)
0.22
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H27N7O2S
MW 489.61
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.48

Activity Summary

EC50 1 meas. best 6.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Bovine viral diarrhea virus 1
CHEMBL612571
 EC50 6.22 6.22 600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Bovine viral diarrhea virus 1 EC50 = 600.0 nM 6.22 Antiviral activity against Bovine viral diarrhea virus infected in MDBK cells as... 19482481

Literature References

PubMed DOI Target Context # Activities
19482481 10.1016/j.bmc.2009.05.020 Bovine viral diarrhea virus 1 1

Data from ChEMBL 36 via Core Engine