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Compound Detail

CHEMBL94841

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CCn1c(O)nnc1-c1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL94841
Phase Preclinical
Structure Type MOL
InChI Key PXINDYJACXPZIN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

223.7
MW (Da)
2.32
ALogP
4
HBA
1
HBD
50.9
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H10ClN3O
MW 223.66
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -1.81

Literature References

PubMed DOI Target Context # Activities
2170646 10.1021/jm00172a015 Mus musculus 3
2170646 10.1021/jm00172a015 Gerbillinae 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
2170646 10.1021/jm00172a015 GABA-A receptor; anion channel 1
2170646 10.1021/jm00172a015 Glutamate NMDA receptor 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1

Data from ChEMBL 36 via Core Engine