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Compound Detail

CHEMBL4099621

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CCOC(=O)c1sc2cc(Oc3ccnc(C(=O)NC)c3)ccc2c1N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4099621
Phase Preclinical
Structure Type MOL
InChI Key UZJQWGMDMLSEQH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

371.4
MW (Da)
3.21
ALogP
7
HBA
2
HBD
103.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17N3O4S
MW 371.42
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.23

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