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Compound Detail

CHEMBL3794124

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Cc1cccc(NC(=O)CCSc2nc(-c3ccccc3)cc(-c3ccccc3)c2C#N)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3794124
Phase Preclinical
Structure Type MOL
InChI Key JAACIJHWVYXYDP-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

449.6
MW (Da)
6.72
ALogP
4
HBA
1
HBD
65.8
PSA (Ų)
0.32
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H23N3OS
MW 449.58
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.78

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
26924568 10.1021/acs.jmedchem.5b01935 ADMET 1
26924568 10.1021/acs.jmedchem.5b01935 Influenza A virus 1
26924568 10.1021/acs.jmedchem.5b01935 PA/PB1 1
26924568 10.1021/acs.jmedchem.5b01935 MDCK 1
26924568 10.1021/acs.jmedchem.5b01935 Unchecked 1

Data from ChEMBL 36 via Core Engine