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Compound Detail

CHEMBL3804998

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O=C1Cn2c(cc3ccccc32)C(=O)N1

Basic Information

ChEMBL ID CHEMBL3804998
Phase Preclinical
Structure Type MOL
InChI Key WSANUGDRBVGDSJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

200.2
MW (Da)
0.91
ALogP
3
HBA
1
HBD
51.1
PSA (Ų)
0.64
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H8N2O2
MW 200.20
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -0.64

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C5MD00439J ADMET 2
- 10.1039/C5MD00439J Polymerase acidic protein 2
- 10.1039/C5MD00439J No relevant target 2
- 10.1039/C5MD00439J Hepatitis C virus 1

Data from ChEMBL 36 via Core Engine