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Compound Detail

CHEMBL4164286

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O=C(NCc1ccccn1)Nc1nnc(-c2ccco2)o1

Basic Information

ChEMBL ID CHEMBL4164286
Phase Preclinical
Structure Type MOL
InChI Key FNSCFQXZZNCDAI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

285.3
MW (Da)
2.05
ALogP
6
HBA
2
HBD
106.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H11N5O3
MW 285.26
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -2.81

Literature References

PubMed DOI Target Context # Activities
31411465 10.1021/acs.jmedchem.9b00723 Kelch-like ECH-associated protein 1 4
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
29750408 10.1021/acs.jmedchem.8b00358 Kelch-like ECH-associated protein 1 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
31411465 10.1021/acs.jmedchem.9b00723 No relevant target 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1

Data from ChEMBL 36 via Core Engine