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Compound Detail

CHEMBL493237

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CCOC(=O)C(=CNC(=S)N/N=C1\C(=O)Nc2ccccc21)C(=O)OCC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL493237
Phase Preclinical
Structure Type MOL
InChI Key ZDGQIHMSEHZQJR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

390.4
MW (Da)
0.82
ALogP
7
HBA
3
HBD
118.1
PSA (Ų)
0.16
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18N4O5S
MW 390.42
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness -0.89

Literature References

PubMed DOI Target Context # Activities
19397322 10.1021/jm800861c NON-PROTEIN TARGET 2

Data from ChEMBL 36 via Core Engine