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Compound Detail

CHEMBL5091671

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CCCn1ncc2c(C(=O)NCCN(C)C)cc(C)nc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5091671
Phase Preclinical
Structure Type MOL
InChI Key NOUVNEGGRGGXJH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

289.4
MW (Da)
1.44
ALogP
5
HBA
1
HBD
63.0
PSA (Ų)
0.87
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H23N5O
MW 289.38
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -2.49

Activity Summary

EC50 1 meas. best 4.32

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
enterovirus D68
CHEMBL613204
 EC50 4.32 4.32 48400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
enterovirus D68 EC50 = 48400.0 nM 4.32 Anti-viral activity against Enterovirus D68 US/KY/14-18953 infected in human RD ... 34085827

Literature References

PubMed DOI Target Context # Activities
34085827 10.1021/acs.jmedchem.1c00758 enterovirus D68 1
34085827 10.1021/acs.jmedchem.1c00758 Unchecked 1
34085827 10.1021/acs.jmedchem.1c00758 ADMET 1

Data from ChEMBL 36 via Core Engine