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Compound Detail

CHEMBL25599

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O=C(O)Cc1cc2ccccc2nc1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL25599
Phase Preclinical
Structure Type MOL
InChI Key IFXJDEHFADWURH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

231.2
MW (Da)
1.56
ALogP
3
HBA
2
HBD
87.5
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H9NO4
MW 231.21
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.48

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.1016/S0960-894X(00)80096-7 Glutamate receptor ionotropic, NMDA 1 1
- 10.1016/S0960-894X(00)80096-7 Glutamate NMDA receptor 1
1849994 10.1021/jm00108a007 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