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Compound Detail

CHEMBL4102246

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CNC(=O)c1cc(Oc2ccc3c(C)c(C(=O)O)sc3c2)ccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4102246
Phase Preclinical
Structure Type MOL
InChI Key XCSKTXCDBUWOSU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

342.4
MW (Da)
3.45
ALogP
5
HBA
2
HBD
88.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14N2O4S
MW 342.38
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.16

Literature References

PubMed DOI Target Context # Activities
28581749 10.1021/acs.jmedchem.7b00175 rhinovirus B14 1
28581749 10.1021/acs.jmedchem.7b00175 rhinovirus A21 1
28581749 10.1021/acs.jmedchem.7b00175 H1-HeLa 1
28581749 10.1021/acs.jmedchem.7b00175 Unchecked 1
28581749 10.1021/acs.jmedchem.7b00175 Poliovirus 3 1
28581749 10.1021/acs.jmedchem.7b00175 HeLa 1

Data from ChEMBL 36 via Core Engine