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Compound Detail

CHEMBL3410413

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Cc1[nH]c2cc([C@@H]3CCCCN3C(=O)c3ccccc3)nn2c(=O)c1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3410413
Phase Preclinical
Structure Type MOL
InChI Key OZDDUPDYJMPJLC-KRWDZBQOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

350.4
MW (Da)
3.01
ALogP
4
HBA
1
HBD
70.5
PSA (Ų)
0.77
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 C20H22N4O2
MW 350.42
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.16

Activity Summary

EC50 1 meas. best 6.23

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Respiratory syncytial virus
CHEMBL612679
 EC50 6.23 6.23 586.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Respiratory syncytial virus EC50 = 586.0 nM 6.23 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